4-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1H-pyridin-2-one

C11H14N4O — CID 139350433

IUPAC4-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1H-pyridin-2-one
SMILESCC(Cc1nncn1C)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H14N4O/c1-8(5-10-14-13-7-15(10)2)9-3-4-12-11(16)6-9/h3-4,6-8H,5H2,1-2H3,(H,12,16)
InChIKeyKCULURVPOQTIGE-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.85
Rot. Bonds3

About 4-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1H-pyridin-2-one

4-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1H-pyridin-2-one (PubChem CID 139350433) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1H-pyridin-2-one
PubChem CID139350433
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1H-pyridin-2-one
SMILESCC(Cc1nncn1C)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H14N4O/c1-8(5-10-14-13-7-15(10)2)9-3-4-12-11(16)6-9/h3-4,6-8H,5H2,1-2H3,(H,12,16)
InChIKeyKCULURVPOQTIGE-UHFFFAOYSA-N
XLogP0.85
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 166557762
CID 166557762
3-[(2S)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline
CID 139350886
4-methyl-3-[2-(3-nitrophenyl)propyl]-1,2,4-triazole
CID 139350400
2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 166557308
3,3-dimethyl-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2H-pyrrolo[2,3-b]pyridine-1-carboxamide
CID 175234190
6-(2-hydroxyethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139350184
4-(2-hydroxypropan-2-yl)-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 139349869
6-bromo-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139349728
4-cyclopropyl-3-[(2R)-2-(3-nitrophenyl)propyl]-1,2,4-triazole
CID 150471175
6-acetyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139350174
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 81072054
N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 139360877

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1H-pyridin-2-one (CID 139350433) is 4-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1H-pyridin-2-one is CC(Cc1nncn1C)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1H-pyridin-2-one?
The InChIKey is KCULURVPOQTIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(5-10-14-13-7-15(10)2)9-3-4-12-11(16)6-9/h3-4,6-8H,5H2,1-2H3,(H,12,16).
What are the key properties of 4-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1H-pyridin-2-one?
4-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1H-pyridin-2-one has a molecular weight of 218.26 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 139350433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).