1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol

C10H19N3O2 — CID 114496925

IUPAC1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol
SMILESCCC(C)(O)Cn1cc(C(C)(C)O)nn1
InChIInChI=1S/C10H19N3O2/c1-5-10(4,15)7-13-6-8(11-12-13)9(2,3)14/h6,14-15H,5,7H2,1-4H3
InChIKeyINBHBIVSRJWRCR-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.67
Rot. Bonds4

About 1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol

1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol (PubChem CID 114496925) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol
PubChem CID114496925
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol
SMILESCCC(C)(O)Cn1cc(C(C)(C)O)nn1
InChIInChI=1S/C10H19N3O2/c1-5-10(4,15)7-13-6-8(11-12-13)9(2,3)14/h6,14-15H,5,7H2,1-4H3
InChIKeyINBHBIVSRJWRCR-UHFFFAOYSA-N
XLogP0.67
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol 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-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol (CID 114496925) is 1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol is CCC(C)(O)Cn1cc(C(C)(C)O)nn1.
What is the InChIKey of 1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol?
The InChIKey is INBHBIVSRJWRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-5-10(4,15)7-13-6-8(11-12-13)9(2,3)14/h6,14-15H,5,7H2,1-4H3.
What are the key properties of 1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol?
1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol has a molecular weight of 213.28 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 114496925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).