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

C15H15F3N4O — CID 84600742

IUPAC1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1Cc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)11-2-1-7-21(14(11)23)8-12-19-20-13(9-3-4-9)22(12)10-5-6-10/h1-2,7,9-10H,3-6,8H2
InChIKeyTUXHVDQGHPDIFM-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.72
Rot. Bonds4

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

1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 84600742) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID84600742
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1Cc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)11-2-1-7-21(14(11)23)8-12-19-20-13(9-3-4-9)22(12)10-5-6-10/h1-2,7,9-10H,3-6,8H2
InChIKeyTUXHVDQGHPDIFM-UHFFFAOYSA-N
XLogP2.72
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72883395
1-[(1,3-dimethyl-1H-1,2,4-triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72862897
5-Bromo-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-methylpyridin-2-one
CID 86790774
1-[1-[5-(1-Fluoroethenyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-(methylideneamino)pyridin-2-one
CID 123467167
1-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72865575
1-[2-(3-methyl-4H-1,2,4-triazol-4-yl)ethyl]-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72886344
1-[[2-(2-Methylpropyl)-1,2,4-triazol-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 84597726
1-[(4,5-Dicyclopropyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one
CID 86818743
1-[(1-Cyclopropyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 100657428
1-[(5-Ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-one
CID 132373237
2-[(4,5-Dicyclopropyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one
CID 132378400
1-[(4,5-Dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-one
CID 136540488

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one (CID 84600742) is 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one is O=c1c(C(F)(F)F)cccn1Cc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is TUXHVDQGHPDIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-15(17,18)11-2-1-7-21(14(11)23)8-12-19-20-13(9-3-4-9)22(12)10-5-6-10/h1-2,7,9-10H,3-6,8H2.
What are the key properties of 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 324.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 84600742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).