triazolo[4,5-c]diazepine

C5H3N5 — CID 70306848

IUPACtriazolo[4,5-c]diazepine
SMILESc1cnnc2nnnc-2c1
InChIInChI=1S/C5H3N5/c1-2-4-5(8-6-3-1)9-10-7-4/h1-3H
InChIKeyDYEHQBMGDYLHBW-UHFFFAOYSA-N
MW133.11 g/mol
LogP-0.23
Rot. Bonds

About triazolo[4,5-c]diazepine

triazolo[4,5-c]diazepine (PubChem CID 70306848) has the molecular formula C5H3N5 and a molecular weight of 133.11 g/mol. Its IUPAC name is triazolo[4,5-c]diazepine.

Molecular Properties

Compound Nametriazolo[4,5-c]diazepine
PubChem CID70306848
Molecular FormulaC5H3N5
Molecular Weight133.11 g/mol
Exact Mass133.04
IUPAC Nametriazolo[4,5-c]diazepine
SMILESc1cnnc2nnnc-2c1
InChIInChI=1S/C5H3N5/c1-2-4-5(8-6-3-1)9-10-7-4/h1-3H
InChIKeyDYEHQBMGDYLHBW-UHFFFAOYSA-N
XLogP-0.23
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.11
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of triazolo[4,5-c]diazepine?
The IUPAC name of triazolo[4,5-c]diazepine (CID 70306848) is triazolo[4,5-c]diazepine.
What is the SMILES notation for triazolo[4,5-c]diazepine?
The canonical SMILES for triazolo[4,5-c]diazepine is c1cnnc2nnnc-2c1.
What is the InChIKey of triazolo[4,5-c]diazepine?
The InChIKey is DYEHQBMGDYLHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N5/c1-2-4-5(8-6-3-1)9-10-7-4/h1-3H.
What are the key properties of triazolo[4,5-c]diazepine?
triazolo[4,5-c]diazepine has a molecular weight of 133.11 g/mol, XLogP of -0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triazolo[4,5-c]diazepine is sourced from PubChem (CID 70306848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).