1,2-bis(2-phenyltriazol-4-yl)hydrazine

C16H14N8 — CID 11438526

IUPAC1,2-bis(2-phenyltriazol-4-yl)hydrazine
SMILESc1ccc(-n2ncc(NNc3cnn(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C16H14N8/c1-3-7-13(8-4-1)23-17-11-15(21-23)19-20-16-12-18-24(22-16)14-9-5-2-6-10-14/h1-12H,(H,19,21)(H,20,22)
InChIKeyKBGFAVYYGUEIPF-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.29
Rot. Bonds5

About 1,2-bis(2-phenyltriazol-4-yl)hydrazine

1,2-bis(2-phenyltriazol-4-yl)hydrazine (PubChem CID 11438526) has the molecular formula C16H14N8 and a molecular weight of 318.34 g/mol. Its IUPAC name is 1,2-bis(2-phenyltriazol-4-yl)hydrazine.

Molecular Properties

Compound Name1,2-bis(2-phenyltriazol-4-yl)hydrazine
PubChem CID11438526
Molecular FormulaC16H14N8
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name1,2-bis(2-phenyltriazol-4-yl)hydrazine
SMILESc1ccc(-n2ncc(NNc3cnn(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C16H14N8/c1-3-7-13(8-4-1)23-17-11-15(21-23)19-20-16-12-18-24(22-16)14-9-5-2-6-10-14/h1-12H,(H,19,21)(H,20,22)
InChIKeyKBGFAVYYGUEIPF-UHFFFAOYSA-N
XLogP2.29
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,2-bis(2-phenyltriazol-4-yl)hydrazine 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 1,2-bis(2-phenyltriazol-4-yl)hydrazine?
The IUPAC name of 1,2-bis(2-phenyltriazol-4-yl)hydrazine (CID 11438526) is 1,2-bis(2-phenyltriazol-4-yl)hydrazine.
What is the SMILES notation for 1,2-bis(2-phenyltriazol-4-yl)hydrazine?
The canonical SMILES for 1,2-bis(2-phenyltriazol-4-yl)hydrazine is c1ccc(-n2ncc(NNc3cnn(-c4ccccc4)n3)n2)cc1.
What is the InChIKey of 1,2-bis(2-phenyltriazol-4-yl)hydrazine?
The InChIKey is KBGFAVYYGUEIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8/c1-3-7-13(8-4-1)23-17-11-15(21-23)19-20-16-12-18-24(22-16)14-9-5-2-6-10-14/h1-12H,(H,19,21)(H,20,22).
What are the key properties of 1,2-bis(2-phenyltriazol-4-yl)hydrazine?
1,2-bis(2-phenyltriazol-4-yl)hydrazine has a molecular weight of 318.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-phenyltriazol-4-yl)hydrazine is sourced from PubChem (CID 11438526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).