5H-[1,2,4]triazolo[4,3-a]azepine

C7H7N3 — CID 142784675

IUPAC5H-[1,2,4]triazolo[4,3-a]azepine
SMILESC1=CCn2cnnc2C=C1
InChIInChI=1S/C7H7N3/c1-2-4-7-9-8-6-10(7)5-3-1/h1-4,6H,5H2
InChIKeyUKORHGLRFATLKF-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.86
Rot. Bonds

About 5H-[1,2,4]triazolo[4,3-a]azepine

5H-[1,2,4]triazolo[4,3-a]azepine (PubChem CID 142784675) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 5H-[1,2,4]triazolo[4,3-a]azepine.

Molecular Properties

Compound Name5H-[1,2,4]triazolo[4,3-a]azepine
PubChem CID142784675
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name5H-[1,2,4]triazolo[4,3-a]azepine
SMILESC1=CCn2cnnc2C=C1
InChIInChI=1S/C7H7N3/c1-2-4-7-9-8-6-10(7)5-3-1/h1-4,6H,5H2
InChIKeyUKORHGLRFATLKF-UHFFFAOYSA-N
XLogP0.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]azepine
CID 130374007
3-(Difluoromethyl)-4-prop-2-enyl-1,2,4-triazole
CID 171097232
5H-pyrrolo[1,2-b][1,2,4]triazole
CID 22630677
5H-pyrrolo[2,1-c][1,2,4]triazole
CID 22630679
7H-[1,2,4]triazolo[4,3-a][1,4]diazepine
CID 54002540
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645
CID 59806643
CID 59806643
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 89033284
9H-[1,2,4]triazolo[4,3-a]azepine
CID 91201848
6,9-dihydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 91527987

Frequently Asked Questions

What is the IUPAC name of 5H-[1,2,4]triazolo[4,3-a]azepine?
The IUPAC name of 5H-[1,2,4]triazolo[4,3-a]azepine (CID 142784675) is 5H-[1,2,4]triazolo[4,3-a]azepine.
What is the SMILES notation for 5H-[1,2,4]triazolo[4,3-a]azepine?
The canonical SMILES for 5H-[1,2,4]triazolo[4,3-a]azepine is C1=CCn2cnnc2C=C1.
What is the InChIKey of 5H-[1,2,4]triazolo[4,3-a]azepine?
The InChIKey is UKORHGLRFATLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-2-4-7-9-8-6-10(7)5-3-1/h1-4,6H,5H2.
What are the key properties of 5H-[1,2,4]triazolo[4,3-a]azepine?
5H-[1,2,4]triazolo[4,3-a]azepine has a molecular weight of 133.15 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-[1,2,4]triazolo[4,3-a]azepine is sourced from PubChem (CID 142784675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).