[5-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol

C11H21N3O2 — CID 103022865

IUPAC[5-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCOC(C)(C)Cc1nnc(CO)n1C(C)C
InChIInChI=1S/C11H21N3O2/c1-8(2)14-9(6-11(3,4)16-5)12-13-10(14)7-15/h8,15H,6-7H2,1-5H3
InChIKeyCZUKXPGQKPEUEZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.32
Rot. Bonds5

About [5-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol

[5-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (PubChem CID 103022865) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is [5-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
PubChem CID103022865
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name[5-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCOC(C)(C)Cc1nnc(CO)n1C(C)C
InChIInChI=1S/C11H21N3O2/c1-8(2)14-9(6-11(3,4)16-5)12-13-10(14)7-15/h8,15H,6-7H2,1-5H3
InChIKeyCZUKXPGQKPEUEZ-UHFFFAOYSA-N
XLogP1.32
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(2-methoxy-2-methylpropyl)-4-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 [5-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (CID 103022865) is [5-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is COC(C)(C)Cc1nnc(CO)n1C(C)C.
What is the InChIKey of [5-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The InChIKey is CZUKXPGQKPEUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)14-9(6-11(3,4)16-5)12-13-10(14)7-15/h8,15H,6-7H2,1-5H3.
What are the key properties of [5-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
[5-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol has a molecular weight of 227.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103022865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).