CID 58466009

C12H10F3N3O — CID 58466009

IUPAC—
SMILES[CH]n1c(CC)nn(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C12H10F3N3O/c1-3-10-16-18(11(19)17(10)2)9-6-4-5-8(7-9)12(13,14)15/h2,4-7H,3H2,1H3
InChIKeyPEUACJNGIUQXBN-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.13
Rot. Bonds2

About CID 58466009

CID 58466009 (PubChem CID 58466009) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol.

Molecular Properties

Compound NameCID 58466009
PubChem CID58466009
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name—
SMILES[CH]n1c(CC)nn(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C12H10F3N3O/c1-3-10-16-18(11(19)17(10)2)9-6-4-5-8(7-9)12(13,14)15/h2,4-7H,3H2,1H3
InChIKeyPEUACJNGIUQXBN-UHFFFAOYSA-N
XLogP2.13
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethyl)-5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 1473436
2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile
CID 3843972
4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 1480139
2-(4-Chloro-2-fluoro-5-methylphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
CID 14501779
2-[6-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 168288780
5-methyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3519473
4-(Difluoromethyl)-2-(2,4-difluorophenyl)-5-methyl-1,2,4-triazol-3-one
CID 13281154
1-(2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)ethyl)-3-(o-tolyl)urea
CID 71793299
7-(3-methylbutyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 134789682
2,5-Diethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one
CID 172444079
4-(4-fluoro-3-methylphenyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 172445392
2,5-Dimethyl-4-(3-methylphenyl)-1,2,4-triazol-3-one
CID 172448866

Frequently Asked Questions

What is the IUPAC name of CID 58466009?
The IUPAC name of CID 58466009 (CID 58466009) is not available.
What is the SMILES notation for CID 58466009?
The canonical SMILES for CID 58466009 is [CH]n1c(CC)nn(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of CID 58466009?
The InChIKey is PEUACJNGIUQXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-3-10-16-18(11(19)17(10)2)9-6-4-5-8(7-9)12(13,14)15/h2,4-7H,3H2,1H3.
What are the key properties of CID 58466009?
CID 58466009 has a molecular weight of 269.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58466009 is sourced from PubChem (CID 58466009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).