1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide

C14H12N6O2 — CID 78861023

IUPAC1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccc[nH]1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C14H12N6O2/c21-13(11-7-4-8-15-11)17-18-14(22)12-9-20(19-16-12)10-5-2-1-3-6-10/h1-9,15H,(H,17,21)(H,18,22)
InChIKeyVDDHVTJQIQVLRI-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.67
Rot. Bonds3

About 1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide

1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide (PubChem CID 78861023) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide
PubChem CID78861023
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccc[nH]1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C14H12N6O2/c21-13(11-7-4-8-15-11)17-18-14(22)12-9-20(19-16-12)10-5-2-1-3-6-10/h1-9,15H,(H,17,21)(H,18,22)
InChIKeyVDDHVTJQIQVLRI-UHFFFAOYSA-N
XLogP0.67
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide 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-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide?
The IUPAC name of 1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide (CID 78861023) is 1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide.
What is the SMILES notation for 1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide?
The canonical SMILES for 1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide is O=C(NNC(=O)c1ccc[nH]1)c1cn(-c2ccccc2)nn1.
What is the InChIKey of 1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide?
The InChIKey is VDDHVTJQIQVLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2/c21-13(11-7-4-8-15-11)17-18-14(22)12-9-20(19-16-12)10-5-2-1-3-6-10/h1-9,15H,(H,17,21)(H,18,22).
What are the key properties of 1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide?
1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide has a molecular weight of 296.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide is sourced from PubChem (CID 78861023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).