di(cyclobutyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol

C14H23N3O — CID 112744425

IUPACdi(cyclobutyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol
SMILESCC(C)n1ncnc1C(O)(C1CCC1)C1CCC1
InChIInChI=1S/C14H23N3O/c1-10(2)17-13(15-9-16-17)14(18,11-5-3-6-11)12-7-4-8-12/h9-12,18H,3-8H2,1-2H3
InChIKeyFODAZBKQXGKAJR-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.65
Rot. Bonds4

About di(cyclobutyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol

di(cyclobutyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol (PubChem CID 112744425) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is di(cyclobutyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Namedi(cyclobutyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol
PubChem CID112744425
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Namedi(cyclobutyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol
SMILESCC(C)n1ncnc1C(O)(C1CCC1)C1CCC1
InChIInChI=1S/C14H23N3O/c1-10(2)17-13(15-9-16-17)14(18,11-5-3-6-11)12-7-4-8-12/h9-12,18H,3-8H2,1-2H3
InChIKeyFODAZBKQXGKAJR-UHFFFAOYSA-N
XLogP2.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze di(cyclobutyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)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 di(cyclobutyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of di(cyclobutyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol (CID 112744425) is di(cyclobutyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for di(cyclobutyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for di(cyclobutyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol is CC(C)n1ncnc1C(O)(C1CCC1)C1CCC1.
What is the InChIKey of di(cyclobutyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol?
The InChIKey is FODAZBKQXGKAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)17-13(15-9-16-17)14(18,11-5-3-6-11)12-7-4-8-12/h9-12,18H,3-8H2,1-2H3.
What are the key properties of di(cyclobutyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol?
di(cyclobutyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol has a molecular weight of 249.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclobutyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 112744425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).