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Molecule
2-Amino-5,7-Dimethyl-1,8-Naphthyridine
CAS: 39565-07-6 · C10H11N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 39565-07-6
- Molecular Formula
- C10H11N3
- Molecular Mass
- 173.22 g/mol
Identifiers
CAS Registry Number
39565-07-6
SMILES
Cc1cc(C)c2ccc(=N)[nH]c2n1
InChI Key
BOSVHBKQNJZNHK-UHFFFAOYSA-N
InChI
InChI=1S/C10H11N3/c1-6-5-7(2)12-10-8(6)3-4-9(11)13-10/h3-5H,1-2H3,(H2,11,12,13)
Names and Synonyms
- 2-Amino-5,7-Dimethyl-1,8-Naphthyridine Synonym
- 1,8-Naphthyridin-2-amine, 5,7-dimethyl- Synonym
- 1,8-Naphthyridine, 7-amino-2,4-dimethyl- Synonym
- 5,7-Dimethyl-1,8-naphthyridin-2-amine Synonym
- 2-Amino-5,7-dimethyl-1,8-naphthyridine Synonym
- 7-Amino-2,4-dimethyl-1,8-naphthyridine Synonym
- NSC 118392 Synonym
- 2,4-Dimethyl-7-amino-1,8-naphthyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.22 g/mol | CAS Common Chemistry |
| 173.219 g/mol | RDKit | |
| Canonical SMILES | N=1C2=NC(=CC(=C2C=CC1N)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H11N3/c1-6-5-7(2)12-10-8(6)3-4-9(11)13-10/h3-5H,1-2H3,(H2,11,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=BOSVHBKQNJZNHK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 215 °C | CAS Common Chemistry |
| Name | 2-Amino-5,7-dimethyl-1,8-naphthyridine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.53 Ų | RDKit |
| LogP | 1.6592099999999996 | RDKit |
| 1.6592 | RDKit | |
| Molar Refractivity | 51.422400000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 173.095297352 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 173.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H11N3.
