3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole

C13H24N4O — CID 124751746

IUPAC3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole
SMILESCCOC[C@H]1CCCN1Cc1nncn1C(C)C
InChIInChI=1S/C13H24N4O/c1-4-18-9-12-6-5-7-16(12)8-13-15-14-10-17(13)11(2)3/h10-12H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyHJMRHWKKYZDACJ-GFCCVEGCSA-N
MW252.36 g/mol
LogP1.86
Rot. Bonds6

About 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole

3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole (PubChem CID 124751746) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole
PubChem CID124751746
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole
SMILESCCOC[C@H]1CCCN1Cc1nncn1C(C)C
InChIInChI=1S/C13H24N4O/c1-4-18-9-12-6-5-7-16(12)8-13-15-14-10-17(13)11(2)3/h10-12H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyHJMRHWKKYZDACJ-GFCCVEGCSA-N
XLogP1.86
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole 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 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole (CID 124751746) is 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole is CCOC[C@H]1CCCN1Cc1nncn1C(C)C.
What is the InChIKey of 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole?
The InChIKey is HJMRHWKKYZDACJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-18-9-12-6-5-7-16(12)8-13-15-14-10-17(13)11(2)3/h10-12H,4-9H2,1-3H3/t12-/m1/s1.
What are the key properties of 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole?
3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole has a molecular weight of 252.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 124751746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).