[3-(5-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methanol

C10H9F3N4O — CID 67618419

IUPAC[3-(5-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methanol
SMILESCC1(c2cc(CO)cc(C(F)(F)F)c2)N=NN=N1
InChIInChI=1S/C10H9F3N4O/c1-9(14-16-17-15-9)7-2-6(5-18)3-8(4-7)10(11,12)13/h2-4,18H,5H2,1H3
InChIKeyPAGAFMLNVZULMN-UHFFFAOYSA-N
MW258.20 g/mol
LogP3.20
Rot. Bonds2

About [3-(5-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methanol

[3-(5-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methanol (PubChem CID 67618419) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is [3-(5-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(5-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methanol
PubChem CID67618419
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name[3-(5-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methanol
SMILESCC1(c2cc(CO)cc(C(F)(F)F)c2)N=NN=N1
InChIInChI=1S/C10H9F3N4O/c1-9(14-16-17-15-9)7-2-6(5-18)3-8(4-7)10(11,12)13/h2-4,18H,5H2,1H3
InChIKeyPAGAFMLNVZULMN-UHFFFAOYSA-N
XLogP3.20
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(5-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methanol 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

[3-butyl-5-(trifluoromethyl)phenyl]methanol
CID 118268639
[difluoro-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]methyl] thiohypofluorite
CID 145158442
3-methyl-5-(trifluoromethyl)benzoic acid;[3-methyl-5-(trifluoromethyl)phenyl]methanol
CID 158005309
tert-butyl N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]carbamate
CID 117236612
acetic acid;[3-(trifluoromethyl)phenyl]methanol
CID 71340400
2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 129085399
[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine
CID 62708708
[3-methyl-5-(trifluoromethyl)phenyl]methanol;piperidine-1-carboxylic acid
CID 162089686
[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]-ditritiomethanol
CID 10513097
1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
CID 172768218
1,3-dipropyl-5-(trifluoromethyl)benzene
CID 58332275
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [3-(5-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methanol (CID 67618419) is [3-(5-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [3-(5-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [3-(5-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methanol is CC1(c2cc(CO)cc(C(F)(F)F)c2)N=NN=N1.
What is the InChIKey of [3-(5-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is PAGAFMLNVZULMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-9(14-16-17-15-9)7-2-6(5-18)3-8(4-7)10(11,12)13/h2-4,18H,5H2,1H3.
What are the key properties of [3-(5-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methanol?
[3-(5-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 258.20 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 67618419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).