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Molecule
2-Methyl-2H-Tetrazol-5-Amine
CAS: 6154-04-7 · C2H5N5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6154-04-7
- Molecular Formula
- C2H5N5
- Molecular Mass
- 99.10 g/mol
Identifiers
CAS Registry Number
6154-04-7
SMILES
Cn1nnc(=N)[nH]1
InChI Key
AZUKLCJYWVMPML-UHFFFAOYSA-N
InChI
InChI=1S/C2H5N5/c1-7-5-2(3)4-6-7/h1H3,(H2,3,5)
Names and Synonyms
- 2-Methyl-2H-Tetrazol-5-Amine Systematic Name
- 2H-Tetrazol-5-amine, 2-methyl- Synonym
- 2H-Tetrazole, 5-amino-2-methyl- Synonym
- 2-Methyl-2H-tetrazol-5-amine Synonym
- 5-Amino-2-methyltetrazole Synonym
- 2-Methyl-5-aminotetrazole Synonym
- 5-Amino-2-methyl-2H-tetrazole Synonym
- 2-Methyl-5-tetrazolamine Synonym
- NSC 141015 Synonym
- (2-Methyl-2H-tetrazol-5-yl)amine Synonym
- 2-Methyl-2H-1,2,3,4-tetrazol-5-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 99.10 g/mol | CAS Common Chemistry |
| 99.097 g/mol | RDKit | |
| Canonical SMILES | N1=NN(N=C1N)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H5N5/c1-7-5-2(3)4-6-7/h1H3,(H2,3,5) | CAS Common Chemistry |
| InChI Key | InChIKey=AZUKLCJYWVMPML-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 104.5-105.5 °C | CAS Common Chemistry |
| Name | 2-Methyl-2H-tetrazol-5-amine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| 3 | RDKit | |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 70.35 Ų | RDKit |
| LogP | -1.3773300000000002 | RDKit |
| -1.3773 | RDKit | |
| Molar Refractivity | 21.2084 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 99.05449515999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 99.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H5N5.
