1H-[1,2,4]Triazolo[4,3-a][1,4]diazepine
Basic information
- CAS
108775-12-8- Standard SMILES
C1=CN2C=NNC2=CN=C1- InChIKey
MIBXSOAJXOSVRS-UHFFFAOYSA-N- Molecular formula
- C6H6N4
- Average molar mass
- 134.14 g/mol
- Monoisotopic mass
- 134.05924621
Names & identifiers
- Preferred name
- 1H-[1,2,4]Triazolo[4,3-a][1,4]diazepine
- IUPAC
- 1H-[1,2,4]triazolo[4,3-a][1,4]diazepine
- English name
- 1H-1,2,4-Triazolo[4,3-a][1,4]diazepine(9CI)
- Molecular formula
- C6H6N4
- Molecular weight
- 0
Names & synonyms
108775-12-81H-[1,2,4]Triazolo[4,3-a][1,4]diazepine1H-1,2,4-Triazolo[4,3-a][1,4]diazepine(9CI)SCHEMBL14746363DTXSID50602179F152771H-1,2,4-TRIAZOLO[4,3-A][1,4]DIAZEPINE
Database identifiers
- CAS
108775-12-8- PubChem CID
- 20076513
- DTXSID
DTXSID50602179
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 248
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Related reactions
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Compound notes
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