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

C12H15N5O2 — CID 75461996

IUPAC1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
SMILESCC(Cn1cncn1)NC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C12H15N5O2/c1-9(5-17-8-13-7-14-17)15-12(19)10-3-4-11(18)16(2)6-10/h3-4,6-9H,5H2,1-2H3,(H,15,19)
InChIKeyUCLMYZYPXPRJJP-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.20
Rot. Bonds4

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

1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide (PubChem CID 75461996) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
PubChem CID75461996
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
SMILESCC(Cn1cncn1)NC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C12H15N5O2/c1-9(5-17-8-13-7-14-17)15-12(19)10-3-4-11(18)16(2)6-10/h3-4,6-9H,5H2,1-2H3,(H,15,19)
InChIKeyUCLMYZYPXPRJJP-UHFFFAOYSA-N
XLogP-0.20
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 87019914
4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide
CID 110226454
3-hydroxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-2-carboxamide
CID 154805729
2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 75517595
2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 135104972
5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 91782567
1-(2-phenylethyl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]triazole-4-carboxamide
CID 25281033
4-(3-aminopropoxy)-3-chloro-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 126427355
2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 75394822
2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide
CID 131937080
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 60518186
3-methyl-2-nitro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 86992604

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide (CID 75461996) is 1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide is CC(Cn1cncn1)NC(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of 1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide?
The InChIKey is UCLMYZYPXPRJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-9(5-17-8-13-7-14-17)15-12(19)10-3-4-11(18)16(2)6-10/h3-4,6-9H,5H2,1-2H3,(H,15,19).
What are the key properties of 1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide?
1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 75461996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).