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

C10H19N3O2 — CID 115397142

IUPAC[5-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
SMILESCCOCc1nnc(CO)n1CC(C)C
InChIInChI=1S/C10H19N3O2/c1-4-15-7-10-12-11-9(6-14)13(10)5-8(2)3/h8,14H,4-7H2,1-3H3
InChIKeyWMMJRYJOJOTTSS-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.96
Rot. Bonds6

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

[5-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 115397142) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is [5-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
PubChem CID115397142
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name[5-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
SMILESCCOCc1nnc(CO)n1CC(C)C
InChIInChI=1S/C10H19N3O2/c1-4-15-7-10-12-11-9(6-14)13(10)5-8(2)3/h8,14H,4-7H2,1-3H3
InChIKeyWMMJRYJOJOTTSS-UHFFFAOYSA-N
XLogP0.96
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(ethoxymethyl)-4-(2-methylpropyl)-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-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol (CID 115397142) is [5-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol is CCOCc1nnc(CO)n1CC(C)C.
What is the InChIKey of [5-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is WMMJRYJOJOTTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-15-7-10-12-11-9(6-14)13(10)5-8(2)3/h8,14H,4-7H2,1-3H3.
What are the key properties of [5-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
[5-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 213.28 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115397142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).