4-ethyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole

C10H18N4O — CID 61377045

IUPAC4-ethyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole
SMILESCCn1c(C)nnc1C1CC(OC)CN1
InChIInChI=1S/C10H18N4O/c1-4-14-7(2)12-13-10(14)9-5-8(15-3)6-11-9/h8-9,11H,4-6H2,1-3H3
InChIKeyVNXKEAICDRUKTI-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.66
Rot. Bonds3

About 4-ethyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole

4-ethyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole (PubChem CID 61377045) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-ethyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole
PubChem CID61377045
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-ethyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole
SMILESCCn1c(C)nnc1C1CC(OC)CN1
InChIInChI=1S/C10H18N4O/c1-4-14-7(2)12-13-10(14)9-5-8(15-3)6-11-9/h8-9,11H,4-6H2,1-3H3
InChIKeyVNXKEAICDRUKTI-UHFFFAOYSA-N
XLogP0.66
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-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 4-ethyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole (CID 61377045) is 4-ethyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole is CCn1c(C)nnc1C1CC(OC)CN1.
What is the InChIKey of 4-ethyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole?
The InChIKey is VNXKEAICDRUKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-14-7(2)12-13-10(14)9-5-8(15-3)6-11-9/h8-9,11H,4-6H2,1-3H3.
What are the key properties of 4-ethyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole?
4-ethyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole has a molecular weight of 210.28 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole is sourced from PubChem (CID 61377045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).