2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol

C13H24N4O — CID 115970091

IUPAC2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(C)Cn1ncnc1CN1CCC(CCO)C1
InChIInChI=1S/C13H24N4O/c1-11(2)7-17-13(14-10-15-17)9-16-5-3-12(8-16)4-6-18/h10-12,18H,3-9H2,1-2H3
InChIKeyXXQDKNYKVHXBOS-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.14
Rot. Bonds6

About 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol

2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 115970091) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID115970091
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(C)Cn1ncnc1CN1CCC(CCO)C1
InChIInChI=1S/C13H24N4O/c1-11(2)7-17-13(14-10-15-17)9-16-5-3-12(8-16)4-6-18/h10-12,18H,3-9H2,1-2H3
InChIKeyXXQDKNYKVHXBOS-UHFFFAOYSA-N
XLogP1.14
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol 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 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol (CID 115970091) is 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol is CC(C)Cn1ncnc1CN1CCC(CCO)C1.
What is the InChIKey of 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is XXQDKNYKVHXBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(2)7-17-13(14-10-15-17)9-16-5-3-12(8-16)4-6-18/h10-12,18H,3-9H2,1-2H3.
What are the key properties of 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol?
2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 252.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115970091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).