[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanol

C12H21N3O — CID 66024770

IUPAC[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanol
SMILESCC(C)Cn1ncnc1CC1(CO)CCC1
InChIInChI=1S/C12H21N3O/c1-10(2)7-15-11(13-9-14-15)6-12(8-16)4-3-5-12/h9-10,16H,3-8H2,1-2H3
InChIKeyGXDNOYCDOHKGFC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.64
Rot. Bonds5

About [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanol

[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanol (PubChem CID 66024770) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanol
PubChem CID66024770
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanol
SMILESCC(C)Cn1ncnc1CC1(CO)CCC1
InChIInChI=1S/C12H21N3O/c1-10(2)7-15-11(13-9-14-15)6-12(8-16)4-3-5-12/h9-10,16H,3-8H2,1-2H3
InChIKeyGXDNOYCDOHKGFC-UHFFFAOYSA-N
XLogP1.64
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanol (CID 66024770) is [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanol is CC(C)Cn1ncnc1CC1(CO)CCC1.
What is the InChIKey of [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanol?
The InChIKey is GXDNOYCDOHKGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)7-15-11(13-9-14-15)6-12(8-16)4-3-5-12/h9-10,16H,3-8H2,1-2H3.
What are the key properties of [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanol?
[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanol is sourced from PubChem (CID 66024770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).