Basic information
- Standard SMILES
c1cc(-c2nnc3n2CCCCN3)ccn1- InChIKey
OCRKPUHZQKZWLC-UHFFFAOYSA-N- Molecular formula
- C11H13N5
- Average molar mass
- 215.25 g/mol
Names & identifiers
- Preferred name
- 3-(Pyridin-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a][1,3]diazepine
- IUPAC
- 3-pyridin-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a][1,3]diazepine
Names & synonyms
775260-07-64-5H,6H,7H,8H,9H-[1,2,4]Triazolo[4,3-a]-[1,3]diazepin-3-ylpyridine3-(Pyridin-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a][1,3]diazepine4-{5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-A][1,3]DIAZEPIN-3-YL}PYRIDINE3-pyridin-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a][1,3]diazepineMFCD05723765SCHEMBL2895908OCRKPUHZQKZWLC-UHFFFAOYSA-NAKOS024015650KS-7197F0758844-5H,6H,7H,8H,9H-[1,2,4]Triazolo[4,3-a][1,3]diazepin-3-yl pyridine
Show more names
3-(4-pyridyl)-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[4,3-a][1,3]diazepine3-pyridin-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-alpha][1,3]diazepine
Database identifiers
- PubChem CID
- 136122467
- Nikkaji
- J640.875C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 228
Related reactions
6 records
Compound notes
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