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

C11H13N5O — CID 64548665

IUPACN-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)c1cccnc1
InChIInChI=1S/C11H13N5O/c17-11(9-3-1-5-12-7-9)13-6-2-4-10-14-8-15-16-10/h1,3,5,7-8H,2,4,6H2,(H,13,17)(H,14,15,16)
InChIKeyLWNQPSKAKAMLNE-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.56
Rot. Bonds5

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

N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide (PubChem CID 64548665) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
PubChem CID64548665
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)c1cccnc1
InChIInChI=1S/C11H13N5O/c17-11(9-3-1-5-12-7-9)13-6-2-4-10-14-8-15-16-10/h1,3,5,7-8H,2,4,6H2,(H,13,17)(H,14,15,16)
InChIKeyLWNQPSKAKAMLNE-UHFFFAOYSA-N
XLogP0.56
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide
CID 64548430
3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64519181
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide
CID 64546872
3,4-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547641
3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide
CID 105070362
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide
CID 64518388
6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid
CID 64523165
5,6-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64547910
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
1-(2-methyl-5-pyridin-3-ylphenyl)-3-[3-(1H-1,2,4-triazol-5-yl)propyl]urea
CID 119053049

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide (CID 64548665) is N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide is O=C(NCCCc1ncn[nH]1)c1cccnc1.
What is the InChIKey of N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide?
The InChIKey is LWNQPSKAKAMLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c17-11(9-3-1-5-12-7-9)13-6-2-4-10-14-8-15-16-10/h1,3,5,7-8H,2,4,6H2,(H,13,17)(H,14,15,16).
What are the key properties of N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide?
N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 64548665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).