1-[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one

C9H9F3N4O2 — CID 118422280

IUPAC1-[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one
SMILESO=C1NNNN1c1cccc(C(F)(F)F)c1CO
InChIInChI=1S/C9H9F3N4O2/c10-9(11,12)6-2-1-3-7(5(6)4-17)16-8(18)13-14-15-16/h1-3,14-15,17H,4H2,(H,13,18)
InChIKeyQGLRDWWTKRQIDJ-UHFFFAOYSA-N
MW262.19 g/mol
LogP0.65
Rot. Bonds2

About 1-[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one

1-[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one (PubChem CID 118422280) has the molecular formula C9H9F3N4O2 and a molecular weight of 262.19 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one
PubChem CID118422280
Molecular FormulaC9H9F3N4O2
Molecular Weight262.19 g/mol
Exact Mass262.07
IUPAC Name1-[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one
SMILESO=C1NNNN1c1cccc(C(F)(F)F)c1CO
InChIInChI=1S/C9H9F3N4O2/c10-9(11,12)6-2-1-3-7(5(6)4-17)16-8(18)13-14-15-16/h1-3,14-15,17H,4H2,(H,13,18)
InChIKeyQGLRDWWTKRQIDJ-UHFFFAOYSA-N
XLogP0.65
TPSA76.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Methoxymethyl-3-methylphenyl)-1,4-dihydrotetrazole-5-one
CID 136646210
1-(2-Hydroxymethyl-3-methyl-6-fluorophenyl)-4-methyl-1,4-dihydrotetrazole-5-one
CID 89875891
1-(2-Hydroxymethyl-3-methyl-4-fluorophenyl)-4-methyl-1,4-dihydrotetrazol-5-one
CID 89875945
1-Amino-3-[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]-1-methylurea
CID 90192874
N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide
CID 90192924
1-[3-(Difluoromethyl)-2-(hydroperoxymethyl)phenyl]-4-methyltetrazol-5-one
CID 117986687
N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]butanamide
CID 118422317
1-[4-Fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one
CID 118422319
1-[6-Fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one
CID 129110142
1,3-Diamino-1-[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]-3-methylurea
CID 129110145
[2-[amino(hydrazinecarbonyl)amino]-6-(trifluoromethyl)phenyl]methyl N'-[(Z)-aminomethylideneamino]carbamimidate
CID 134548006
4-[3,4-bis[fluoro(dihydroxy)methyl]phenyl]-1H-tetrazol-5-one
CID 136466226

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one?
The IUPAC name of 1-[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one (CID 118422280) is 1-[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one?
The canonical SMILES for 1-[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one is O=C1NNNN1c1cccc(C(F)(F)F)c1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one?
The InChIKey is QGLRDWWTKRQIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O2/c10-9(11,12)6-2-1-3-7(5(6)4-17)16-8(18)13-14-15-16/h1-3,14-15,17H,4H2,(H,13,18).
What are the key properties of 1-[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one?
1-[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one has a molecular weight of 262.19 g/mol, XLogP of 0.65, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one is sourced from PubChem (CID 118422280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).