N-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-methylpyridine-3-carboxamide

C12H13N5O — CID 138997988

IUPACN-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2nncn2C2CC2)c1
InChIInChI=1S/C12H13N5O/c1-8-4-9(6-13-5-8)11(18)15-12-16-14-7-17(12)10-2-3-10/h4-7,10H,2-3H2,1H3,(H,15,16,18)
InChIKeyWYWYGQIUXMCINK-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.57
Rot. Bonds3

About N-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-methylpyridine-3-carboxamide

N-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-methylpyridine-3-carboxamide (PubChem CID 138997988) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-methylpyridine-3-carboxamide
PubChem CID138997988
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC NameN-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2nncn2C2CC2)c1
InChIInChI=1S/C12H13N5O/c1-8-4-9(6-13-5-8)11(18)15-12-16-14-7-17(12)10-2-3-10/h4-7,10H,2-3H2,1H3,(H,15,16,18)
InChIKeyWYWYGQIUXMCINK-UHFFFAOYSA-N
XLogP1.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-methylpyridine-3-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-methylpyridine-3-carboxamide (CID 138997988) is N-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)Nc2nncn2C2CC2)c1.
What is the InChIKey of N-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-methylpyridine-3-carboxamide?
The InChIKey is WYWYGQIUXMCINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-8-4-9(6-13-5-8)11(18)15-12-16-14-7-17(12)10-2-3-10/h4-7,10H,2-3H2,1H3,(H,15,16,18).
What are the key properties of N-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-methylpyridine-3-carboxamide?
N-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-methylpyridine-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 138997988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).