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

C12H15N5O — CID 71946773

IUPACN-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carboxamide
SMILESCC(C)Cc1nc(NC(=O)c2ccccn2)n[nH]1
InChIInChI=1S/C12H15N5O/c1-8(2)7-10-14-12(17-16-10)15-11(18)9-5-3-4-6-13-9/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyRFEAWQCMURHXSF-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.65
Rot. Bonds4

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

N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carboxamide (PubChem CID 71946773) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carboxamide
PubChem CID71946773
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carboxamide
SMILESCC(C)Cc1nc(NC(=O)c2ccccn2)n[nH]1
InChIInChI=1S/C12H15N5O/c1-8(2)7-10-14-12(17-16-10)15-11(18)9-5-3-4-6-13-9/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyRFEAWQCMURHXSF-UHFFFAOYSA-N
XLogP1.65
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carboxamide (CID 71946773) is N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carboxamide is CC(C)Cc1nc(NC(=O)c2ccccn2)n[nH]1.
What is the InChIKey of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carboxamide?
The InChIKey is RFEAWQCMURHXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8(2)7-10-14-12(17-16-10)15-11(18)9-5-3-4-6-13-9/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carboxamide?
N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71946773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).