(4Z,8Z)-2H-triazolo[4,5-d]azocine

C7H6N4 — CID 145314954

IUPAC(4Z,8Z)-2H-triazolo[4,5-d]azocine
SMILESC1=C\c2n[nH]nc2/C=C\N=C/1
InChIInChI=1S/C7H6N4/c1-2-6-7(10-11-9-6)3-5-8-4-1/h1-5H,(H,9,10,11)
InChIKeyZXSZIRGPJMLFAG-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.87
Rot. Bonds

About (4Z,8Z)-2H-triazolo[4,5-d]azocine

(4Z,8Z)-2H-triazolo[4,5-d]azocine (PubChem CID 145314954) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is (4Z,8Z)-2H-triazolo[4,5-d]azocine.

Molecular Properties

Compound Name(4Z,8Z)-2H-triazolo[4,5-d]azocine
PubChem CID145314954
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name(4Z,8Z)-2H-triazolo[4,5-d]azocine
SMILESC1=C\c2n[nH]nc2/C=C\N=C/1
InChIInChI=1S/C7H6N4/c1-2-6-7(10-11-9-6)3-5-8-4-1/h1-5H,(H,9,10,11)
InChIKeyZXSZIRGPJMLFAG-UHFFFAOYSA-N
XLogP0.87
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4Z,8Z)-2H-triazolo[4,5-d]azocine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z,8Z)-2H-triazolo[4,5-d]azocine?
The IUPAC name of (4Z,8Z)-2H-triazolo[4,5-d]azocine (CID 145314954) is (4Z,8Z)-2H-triazolo[4,5-d]azocine.
What is the SMILES notation for (4Z,8Z)-2H-triazolo[4,5-d]azocine?
The canonical SMILES for (4Z,8Z)-2H-triazolo[4,5-d]azocine is C1=C\c2n[nH]nc2/C=C\N=C/1.
What is the InChIKey of (4Z,8Z)-2H-triazolo[4,5-d]azocine?
The InChIKey is ZXSZIRGPJMLFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-2-6-7(10-11-9-6)3-5-8-4-1/h1-5H,(H,9,10,11).
What are the key properties of (4Z,8Z)-2H-triazolo[4,5-d]azocine?
(4Z,8Z)-2H-triazolo[4,5-d]azocine has a molecular weight of 146.15 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8Z)-2H-triazolo[4,5-d]azocine is sourced from PubChem (CID 145314954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).