Back to Search
Molecule
6-Hydrazinyl-9H-Purine
CAS: 5404-86-4 · C5H6N6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5404-86-4
- Molecular Formula
- C5H6N6
- Molecular Mass
- 150.15 g/mol
Identifiers
CAS Registry Number
5404-86-4
SMILES
NNc1ncnc2[nH]cnc12
InChI Key
IUEISQYNCXVHTJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N6/c6-11-5-3-4(8-1-7-3)9-2-10-5/h1-2H,6H2,(H2,7,8,9,10,11)
Names and Synonyms
- 6-Hydrazinyl-9H-Purine Systematic Name
- 9H-Purine, 6-hydrazinyl- Synonym
- Purine, 6-hydrazino- Synonym
- 6H-Purin-6-one, 1,7-dihydro-, hydrazone Synonym
- 6-Hydrazinyl-9H-purine Synonym
- 6-Hydrazino-1H-purine Synonym
- 6-Hydrazinopurine Synonym
- NSC 7354 Synonym
- 6-Hydrazinyl-7H-purine Synonym
- (9H-Purin-6-yl)-hydrazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.15 g/mol | CAS Common Chemistry |
| 150.14499999999998 g/mol | RDKit | |
| 150.145 g/mol | RDKit | |
| 151.153 g/mol | chempirical lib | |
| Canonical SMILES | N(N)=C1N=CNC=2N=CNC12 | CAS Common Chemistry |
| InChI | InChI=1S/C5H6N6/c6-11-5-3-4(8-1-7-3)9-2-10-5/h1-2H,6H2,(H2,7,8,9,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=IUEISQYNCXVHTJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 230 °C | CAS Common Chemistry |
| Name | 6-Hydrazinyl-9H-purine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 92.51 Ų | RDKit |
| 87.13 Ų | chempirical lib | |
| LogP | -0.36150000000000077 | RDKit |
| -0.3615 | RDKit | |
| Molar Refractivity | 39.49379999999999 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 150.06539419199999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 150.15 g/mol. Edit any field — others recompute live.
