5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide

C12H12N6O — CID 64546656

IUPAC5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCCCc2ncn[nH]2)nc1
InChIInChI=1S/C12H12N6O/c13-6-9-3-4-10(15-7-9)12(19)14-5-1-2-11-16-8-17-18-11/h3-4,7-8H,1-2,5H2,(H,14,19)(H,16,17,18)
InChIKeyHKHCLRQXCFPUSA-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.43
Rot. Bonds5

About 5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide

5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide (PubChem CID 64546656) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
PubChem CID64546656
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCCCc2ncn[nH]2)nc1
InChIInChI=1S/C12H12N6O/c13-6-9-3-4-10(15-7-9)12(19)14-5-1-2-11-16-8-17-18-11/h3-4,7-8H,1-2,5H2,(H,14,19)(H,16,17,18)
InChIKeyHKHCLRQXCFPUSA-UHFFFAOYSA-N
XLogP0.43
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid
CID 64523165
5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
CID 114504454
5-(3-hydroxyprop-1-ynyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 64525735
4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64547578
N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide
CID 103896383
6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
CID 64546919
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909
5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
CID 63716783
5-cyano-N-(4-hydroxypentyl)pyridine-2-carboxamide
CID 107300157
6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide
CID 64524982
5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 104641538
1-(3-cyanophenyl)-3-[3-(1H-1,2,4-triazol-5-yl)propyl]urea
CID 64531848

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide (CID 64546656) is 5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide is N#Cc1ccc(C(=O)NCCCc2ncn[nH]2)nc1.
What is the InChIKey of 5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide?
The InChIKey is HKHCLRQXCFPUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c13-6-9-3-4-10(15-7-9)12(19)14-5-1-2-11-16-8-17-18-11/h3-4,7-8H,1-2,5H2,(H,14,19)(H,16,17,18).
What are the key properties of 5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide?
5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide has a molecular weight of 256.27 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 64546656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).