1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

C12H11F3N4O — CID 50950306

IUPAC1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1nc(C2CC2)n[nH]1
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)8-3-4-10(20)19(5-8)6-9-16-11(18-17-9)7-1-2-7/h3-5,7H,1-2,6H2,(H,16,17,18)
InChIKeyMOSFDKBHLTZLDD-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.91
Rot. Bonds3

About 1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 50950306) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID50950306
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1nc(C2CC2)n[nH]1
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)8-3-4-10(20)19(5-8)6-9-16-11(18-17-9)7-1-2-7/h3-5,7H,1-2,6H2,(H,16,17,18)
InChIKeyMOSFDKBHLTZLDD-UHFFFAOYSA-N
XLogP1.91
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36580536
(5-methyl-1H-1,2,4-triazol-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113591724
(5-ethyl-1H-1,2,4-triazol-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114490503
(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114490504
(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114490506
(5-propyl-1H-1,2,4-triazol-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114490508
6-methyl-2-oxo-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1,2-dihydropyridine-4-carboxamide
CID 124206420
1-methyl-6-oxo-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1,6-dihydropyridine-3-carboxamide
CID 124214118
1-[(5-Ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 137980435
5-[3-(2,2-difluoroethylamino)-1H-1,2,4-triazol-5-yl]-1-methylpyridin-2-one
CID 167934453
5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one
CID 167938220
5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one
CID 167986412

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 50950306) is 1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1Cc1nc(C2CC2)n[nH]1.
What is the InChIKey of 1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is MOSFDKBHLTZLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c13-12(14,15)8-3-4-10(20)19(5-8)6-9-16-11(18-17-9)7-1-2-7/h3-5,7H,1-2,6H2,(H,16,17,18).
What are the key properties of 1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 284.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 50950306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).