4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol

C10H19N3O2 — CID 103027585

IUPAC4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCOC(C)(C)CC(O)Cc1ncnn1C
InChIInChI=1S/C10H19N3O2/c1-10(2,15-4)6-8(14)5-9-11-7-12-13(9)3/h7-8,14H,5-6H2,1-4H3
InChIKeyRZILIGNQQWRNOA-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.53
Rot. Bonds5

About 4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol

4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol (PubChem CID 103027585) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
PubChem CID103027585
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCOC(C)(C)CC(O)Cc1ncnn1C
InChIInChI=1S/C10H19N3O2/c1-10(2,15-4)6-8(14)5-9-11-7-12-13(9)3/h7-8,14H,5-6H2,1-4H3
InChIKeyRZILIGNQQWRNOA-UHFFFAOYSA-N
XLogP0.53
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-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 4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol?
The IUPAC name of 4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol (CID 103027585) is 4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol.
What is the SMILES notation for 4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol?
The canonical SMILES for 4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol is COC(C)(C)CC(O)Cc1ncnn1C.
What is the InChIKey of 4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol?
The InChIKey is RZILIGNQQWRNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-10(2,15-4)6-8(14)5-9-11-7-12-13(9)3/h7-8,14H,5-6H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol?
4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol has a molecular weight of 213.28 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol is sourced from PubChem (CID 103027585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).