1-(1-ethyltriazol-4-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea

C16H20N6O2 — CID 118794669

IUPAC1-(1-ethyltriazol-4-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
SMILESCCn1cc(NC(=O)NCc2ccc(N3CCCC3=O)cc2)nn1
InChIInChI=1S/C16H20N6O2/c1-2-21-11-14(19-20-21)18-16(24)17-10-12-5-7-13(8-6-12)22-9-3-4-15(22)23/h5-8,11H,2-4,9-10H2,1H3,(H2,17,18,24)
InChIKeyDXIRFLWNOJTGMF-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.75
Rot. Bonds5

About 1-(1-ethyltriazol-4-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea

1-(1-ethyltriazol-4-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea (PubChem CID 118794669) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-(1-ethyltriazol-4-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1-ethyltriazol-4-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
PubChem CID118794669
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name1-(1-ethyltriazol-4-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
SMILESCCn1cc(NC(=O)NCc2ccc(N3CCCC3=O)cc2)nn1
InChIInChI=1S/C16H20N6O2/c1-2-21-11-14(19-20-21)18-16(24)17-10-12-5-7-13(8-6-12)22-9-3-4-15(22)23/h5-8,11H,2-4,9-10H2,1H3,(H2,17,18,24)
InChIKeyDXIRFLWNOJTGMF-UHFFFAOYSA-N
XLogP1.75
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-ethyltriazol-4-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea 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 1-(1-ethyltriazol-4-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The IUPAC name of 1-(1-ethyltriazol-4-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea (CID 118794669) is 1-(1-ethyltriazol-4-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-(1-ethyltriazol-4-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The canonical SMILES for 1-(1-ethyltriazol-4-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea is CCn1cc(NC(=O)NCc2ccc(N3CCCC3=O)cc2)nn1.
What is the InChIKey of 1-(1-ethyltriazol-4-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The InChIKey is DXIRFLWNOJTGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-2-21-11-14(19-20-21)18-16(24)17-10-12-5-7-13(8-6-12)22-9-3-4-15(22)23/h5-8,11H,2-4,9-10H2,1H3,(H2,17,18,24).
What are the key properties of 1-(1-ethyltriazol-4-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
1-(1-ethyltriazol-4-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea has a molecular weight of 328.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyltriazol-4-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea is sourced from PubChem (CID 118794669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).