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

C12H15N5O — CID 51079304

IUPAC6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCCCn2cncn2)n1
InChIInChI=1S/C12H15N5O/c1-10-4-2-5-11(16-10)12(18)14-6-3-7-17-9-13-8-15-17/h2,4-5,8-9H,3,6-7H2,1H3,(H,14,18)
InChIKeySRJSZSMCMAUBFK-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.80
Rot. Bonds5

About 6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide

6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide (PubChem CID 51079304) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide
PubChem CID51079304
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCCCn2cncn2)n1
InChIInChI=1S/C12H15N5O/c1-10-4-2-5-11(16-10)12(18)14-6-3-7-17-9-13-8-15-17/h2,4-5,8-9H,3,6-7H2,1H3,(H,14,18)
InChIKeySRJSZSMCMAUBFK-UHFFFAOYSA-N
XLogP0.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide (CID 51079304) is 6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide is Cc1cccc(C(=O)NCCCn2cncn2)n1.
What is the InChIKey of 6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide?
The InChIKey is SRJSZSMCMAUBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-10-4-2-5-11(16-10)12(18)14-6-3-7-17-9-13-8-15-17/h2,4-5,8-9H,3,6-7H2,1H3,(H,14,18).
What are the key properties of 6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide?
6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 51079304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).