6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid

C12H13N5O3 — CID 64523165

IUPAC6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCCCc2ncn[nH]2)nc1
InChIInChI=1S/C12H13N5O3/c18-11(9-4-3-8(6-14-9)12(19)20)13-5-1-2-10-15-7-16-17-10/h3-4,6-7H,1-2,5H2,(H,13,18)(H,19,20)(H,15,16,17)
InChIKeyWLVFHCXFQMKDEV-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.26
Rot. Bonds6

About 6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid

6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 64523165) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID64523165
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCCCc2ncn[nH]2)nc1
InChIInChI=1S/C12H13N5O3/c18-11(9-4-3-8(6-14-9)12(19)20)13-5-1-2-10-15-7-16-17-10/h3-4,6-7H,1-2,5H2,(H,13,18)(H,19,20)(H,15,16,17)
InChIKeyWLVFHCXFQMKDEV-UHFFFAOYSA-N
XLogP0.26
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
CID 64546656
3,4-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547641
4-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoylamino]benzoic acid
CID 64532180
5,6-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64547910
6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
CID 64546919
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
N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64548665
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide
CID 64518388
6-(3-methylsulfanylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 63959923
N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide
CID 64546872
3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
CID 64547327

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid (CID 64523165) is 6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(C(=O)NCCCc2ncn[nH]2)nc1.
What is the InChIKey of 6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is WLVFHCXFQMKDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c18-11(9-4-3-8(6-14-9)12(19)20)13-5-1-2-10-15-7-16-17-10/h3-4,6-7H,1-2,5H2,(H,13,18)(H,19,20)(H,15,16,17).
What are the key properties of 6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid?
6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 275.27 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 64523165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).