(2-methyl-1,2,4-triazol-3-yl)-(1-phenylcyclobutyl)methanol

C14H17N3O — CID 112743944

IUPAC(2-methyl-1,2,4-triazol-3-yl)-(1-phenylcyclobutyl)methanol
SMILESCn1ncnc1C(O)C1(c2ccccc2)CCC1
InChIInChI=1S/C14H17N3O/c1-17-13(15-10-16-17)12(18)14(8-5-9-14)11-6-3-2-4-7-11/h2-4,6-7,10,12,18H,5,8-9H2,1H3
InChIKeyPQVUOTIITYHKMR-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.97
Rot. Bonds3

About (2-methyl-1,2,4-triazol-3-yl)-(1-phenylcyclobutyl)methanol

(2-methyl-1,2,4-triazol-3-yl)-(1-phenylcyclobutyl)methanol (PubChem CID 112743944) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (2-methyl-1,2,4-triazol-3-yl)-(1-phenylcyclobutyl)methanol.

Molecular Properties

Compound Name(2-methyl-1,2,4-triazol-3-yl)-(1-phenylcyclobutyl)methanol
PubChem CID112743944
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(2-methyl-1,2,4-triazol-3-yl)-(1-phenylcyclobutyl)methanol
SMILESCn1ncnc1C(O)C1(c2ccccc2)CCC1
InChIInChI=1S/C14H17N3O/c1-17-13(15-10-16-17)12(18)14(8-5-9-14)11-6-3-2-4-7-11/h2-4,6-7,10,12,18H,5,8-9H2,1H3
InChIKeyPQVUOTIITYHKMR-UHFFFAOYSA-N
XLogP1.97
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methyl-1,2,4-triazol-3-yl)-(1-phenylcyclobutyl)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

2,2-Dimethyl-6-phenyl-4-(1,2,4-triazol-1-yl)hexan-3-ol
CID 44356646
Phenyl 4,4-dimethyl-2-(1,2,4-triazol-1-yl)-pentan-3-ol
CID 12941291
(1S)-2-phenyl-1-[1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethanol
CID 72929312
2,2,8-Trimethyl-8-(4-fluorophenyl)-4-[1,2,4]triazol-1-ylnonan-3-ol
CID 45110964
4,4-Difluoro-1-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-4-phenylbutan-1-ol
CID 66815884
1-(SR)-(Hydroxy)-2-(RS)-(4-fluorophenyl)-3-(RS)-(4-methyl-1,2,4-triazol-3-yl)cyclopentane
CID 67593132
(4-Methyl-1,2,4-triazol-3-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 67682787
3-[Fluoro-(3-phenyloxetan-3-yl)methyl]-4-methyl-1,2,4-triazole
CID 151398973
[1-(3-Bromophenyl)-3,3-difluorocyclobutyl]-(4-methyl-1,2,4-triazol-3-yl)methanol
CID 164869022
(2R)-2-(3-bromophenyl)-2-fluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-ol
CID 167404418
2-(3-Bromophenyl)-2-fluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-ol
CID 175476301
2,2-Dimethyl-7-phenyl-4-(1,2,4-triazol-1-yl)heptan-3-ol
CID 13371236

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,2,4-triazol-3-yl)-(1-phenylcyclobutyl)methanol?
The IUPAC name of (2-methyl-1,2,4-triazol-3-yl)-(1-phenylcyclobutyl)methanol (CID 112743944) is (2-methyl-1,2,4-triazol-3-yl)-(1-phenylcyclobutyl)methanol.
What is the SMILES notation for (2-methyl-1,2,4-triazol-3-yl)-(1-phenylcyclobutyl)methanol?
The canonical SMILES for (2-methyl-1,2,4-triazol-3-yl)-(1-phenylcyclobutyl)methanol is Cn1ncnc1C(O)C1(c2ccccc2)CCC1.
What is the InChIKey of (2-methyl-1,2,4-triazol-3-yl)-(1-phenylcyclobutyl)methanol?
The InChIKey is PQVUOTIITYHKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-13(15-10-16-17)12(18)14(8-5-9-14)11-6-3-2-4-7-11/h2-4,6-7,10,12,18H,5,8-9H2,1H3.
What are the key properties of (2-methyl-1,2,4-triazol-3-yl)-(1-phenylcyclobutyl)methanol?
(2-methyl-1,2,4-triazol-3-yl)-(1-phenylcyclobutyl)methanol has a molecular weight of 243.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,2,4-triazol-3-yl)-(1-phenylcyclobutyl)methanol is sourced from PubChem (CID 112743944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).