[4-cyclopropyl-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]methanol

C11H19N3O — CID 115396372

IUPAC[4-cyclopropyl-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)(C)Cc1nnc(CO)n1C1CC1
InChIInChI=1S/C11H19N3O/c1-11(2,3)6-9-12-13-10(7-15)14(9)8-4-5-8/h8,15H,4-7H2,1-3H3
InChIKeyRMFGEGQHEWLISQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.69
Rot. Bonds3

About [4-cyclopropyl-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]methanol

[4-cyclopropyl-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 115396372) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [4-cyclopropyl-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]methanol
PubChem CID115396372
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[4-cyclopropyl-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)(C)Cc1nnc(CO)n1C1CC1
InChIInChI=1S/C11H19N3O/c1-11(2,3)6-9-12-13-10(7-15)14(9)8-4-5-8/h8,15H,4-7H2,1-3H3
InChIKeyRMFGEGQHEWLISQ-UHFFFAOYSA-N
XLogP1.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-cyclopropyl-5-(2,2-dimethylpropyl)-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 [4-cyclopropyl-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-cyclopropyl-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]methanol (CID 115396372) is [4-cyclopropyl-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-cyclopropyl-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]methanol is CC(C)(C)Cc1nnc(CO)n1C1CC1.
What is the InChIKey of [4-cyclopropyl-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is RMFGEGQHEWLISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)6-9-12-13-10(7-15)14(9)8-4-5-8/h8,15H,4-7H2,1-3H3.
What are the key properties of [4-cyclopropyl-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]methanol?
[4-cyclopropyl-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 209.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115396372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).