2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2,4-triazol-3-one

C10H8ClF3N4O — CID 56689246

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2,4-triazol-3-one
SMILESCc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1C
InChIInChI=1S/C10H8ClF3N4O/c1-5-16-18(9(19)17(5)2)8-7(11)3-6(4-15-8)10(12,13)14/h3-4H,1-2H3
InChIKeyRCEXJDPSITWWGH-UHFFFAOYSA-N
MW292.65 g/mol
LogP1.95
Rot. Bonds1

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2,4-triazol-3-one

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2,4-triazol-3-one (PubChem CID 56689246) has the molecular formula C10H8ClF3N4O and a molecular weight of 292.65 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2,4-triazol-3-one
PubChem CID56689246
Molecular FormulaC10H8ClF3N4O
Molecular Weight292.65 g/mol
Exact Mass292.03
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2,4-triazol-3-one
SMILESCc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1C
InChIInChI=1S/C10H8ClF3N4O/c1-5-16-18(9(19)17(5)2)8-7(11)3-6(4-15-8)10(12,13)14/h3-4H,1-2H3
InChIKeyRCEXJDPSITWWGH-UHFFFAOYSA-N
XLogP1.95
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.65
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3386297
Ethyl 4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]piperidine-1-carboxylate
CID 3411911
2-{4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile
CID 4252437
2-Chlorobenzaldehyde 1-[5-chloro-3-(trifluoromethyl)-2-pyridyl]-1-methylhydrazone
CID 9580522
4-Chlorobenzaldehyde 1-[5-chloro-3-(trifluoromethyl)-2-pyridyl]-1-methylhydrazone
CID 9580524
N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N''-methylcarbonic dihydrazide
CID 1481929
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2,6-dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3391076
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3519223
1-[4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidin-1-yl]ethanone
CID 3561796
2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-one
CID 3652185
2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(2,6-difluorophenyl)-5-methyl-1,2,4-triazol-3-one
CID 3708437
5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione
CID 3716984

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2,4-triazol-3-one?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2,4-triazol-3-one (CID 56689246) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2,4-triazol-3-one is Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1C.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2,4-triazol-3-one?
The InChIKey is RCEXJDPSITWWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4O/c1-5-16-18(9(19)17(5)2)8-7(11)3-6(4-15-8)10(12,13)14/h3-4H,1-2H3.
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2,4-triazol-3-one?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2,4-triazol-3-one has a molecular weight of 292.65 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2,4-triazol-3-one is sourced from PubChem (CID 56689246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).