triazolo[4,5-i][1,2]benzodiazepine

C9H5N5 — CID 66714960

IUPACtriazolo[4,5-i][1,2]benzodiazepine
SMILESc1cnnc2c(c1)ccc1nnnc12
InChIInChI=1S/C9H5N5/c1-2-6-3-4-7-9(13-14-11-7)8(6)12-10-5-1/h1-5H
InChIKeyKYTREVLPRJOBEM-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.97
Rot. Bonds

About triazolo[4,5-i][1,2]benzodiazepine

triazolo[4,5-i][1,2]benzodiazepine (PubChem CID 66714960) has the molecular formula C9H5N5 and a molecular weight of 183.17 g/mol. Its IUPAC name is triazolo[4,5-i][1,2]benzodiazepine.

Molecular Properties

Compound Nametriazolo[4,5-i][1,2]benzodiazepine
PubChem CID66714960
Molecular FormulaC9H5N5
Molecular Weight183.17 g/mol
Exact Mass183.05
IUPAC Nametriazolo[4,5-i][1,2]benzodiazepine
SMILESc1cnnc2c(c1)ccc1nnnc12
InChIInChI=1S/C9H5N5/c1-2-6-3-4-7-9(13-14-11-7)8(6)12-10-5-1/h1-5H
InChIKeyKYTREVLPRJOBEM-UHFFFAOYSA-N
XLogP0.97
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of triazolo[4,5-i][1,2]benzodiazepine?
The IUPAC name of triazolo[4,5-i][1,2]benzodiazepine (CID 66714960) is triazolo[4,5-i][1,2]benzodiazepine.
What is the SMILES notation for triazolo[4,5-i][1,2]benzodiazepine?
The canonical SMILES for triazolo[4,5-i][1,2]benzodiazepine is c1cnnc2c(c1)ccc1nnnc12.
What is the InChIKey of triazolo[4,5-i][1,2]benzodiazepine?
The InChIKey is KYTREVLPRJOBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5/c1-2-6-3-4-7-9(13-14-11-7)8(6)12-10-5-1/h1-5H.
What are the key properties of triazolo[4,5-i][1,2]benzodiazepine?
triazolo[4,5-i][1,2]benzodiazepine has a molecular weight of 183.17 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triazolo[4,5-i][1,2]benzodiazepine is sourced from PubChem (CID 66714960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).