n,3-Diethyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
Basic information
- CAS
6312-59-0- Standard SMILES
CCNc1ncnc2c1nnn2CC- InChIKey
NDVNHAJMXQWLSL-UHFFFAOYSA-N- Molecular formula
- C8H12N6
- Average molar mass
- 192.22 g/mol
- Monoisotopic mass
- 192.11234441
Names & identifiers
- Preferred name
- n,3-Diethyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
- IUPAC
- N,3-diethyltriazolo[4,5-d]pyrimidin-7-amine
- English name
- 3H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, N,3-diethyl-
- Molecular formula
- C8H12N6
- Molecular weight
- 192.22
Names & synonyms
n,3-diethyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine6312-59-0N,3-diethyltriazolo[4,5-d]pyrimidin-7-amineMFCD08047167F2792-0270NSC40367CHEMBL1995047DTXSID20285059HMS1658P08NSC-40367AKOS024467293NCI60_003807
Show more names
3H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, N,3-diethyl-
CS-0298604F75165EN300-1592029F711003
Database identifiers
- CAS
6312-59-0- PubChem CID
- 237113
- DTXSID
DTXSID20285059- ChEMBL
CHEMBL1995047
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 393.2 · 393.2±22.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 3.78 · 3.78±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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