6H-triazolo[1,5-a]azepine

C7H7N3 — CID 177189298

IUPAC6H-triazolo[1,5-a]azepine
SMILESC1=Cc2cnnn2C=CC1
InChIInChI=1S/C7H7N3/c1-2-4-7-6-8-9-10(7)5-3-1/h2-6H,1H2
InChIKeyVQBPGZLDFSAWCD-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.17
Rot. Bonds

About 6H-triazolo[1,5-a]azepine

6H-triazolo[1,5-a]azepine (PubChem CID 177189298) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 6H-triazolo[1,5-a]azepine.

Molecular Properties

Compound Name6H-triazolo[1,5-a]azepine
PubChem CID177189298
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name6H-triazolo[1,5-a]azepine
SMILESC1=Cc2cnnn2C=CC1
InChIInChI=1S/C7H7N3/c1-2-4-7-6-8-9-10(7)5-3-1/h2-6H,1H2
InChIKeyVQBPGZLDFSAWCD-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[(1Z)-buta-1,3-dienyl]-2H-triazole
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1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole
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5-Ethenyl-1-methyl-1h-1,2,3-triazole
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1-methyl-4-[(E)-prop-1-enyl]triazole
CID 134458623
1-methyl-5-[(Z)-prop-1-enyl]triazole
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6,7-Dihydrotriazolo[1,5-a]pyridine
CID 135189508
6H-triazolo[1,5-d][1,4]diazepine
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7,8-dihydro-6H-triazolo[1,5-a]azepine;ethane
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Frequently Asked Questions

What is the IUPAC name of 6H-triazolo[1,5-a]azepine?
The IUPAC name of 6H-triazolo[1,5-a]azepine (CID 177189298) is 6H-triazolo[1,5-a]azepine.
What is the SMILES notation for 6H-triazolo[1,5-a]azepine?
The canonical SMILES for 6H-triazolo[1,5-a]azepine is C1=Cc2cnnn2C=CC1.
What is the InChIKey of 6H-triazolo[1,5-a]azepine?
The InChIKey is VQBPGZLDFSAWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-2-4-7-6-8-9-10(7)5-3-1/h2-6H,1H2.
What are the key properties of 6H-triazolo[1,5-a]azepine?
6H-triazolo[1,5-a]azepine has a molecular weight of 133.15 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-triazolo[1,5-a]azepine is sourced from PubChem (CID 177189298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).