1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea

C15H21N5O3 — CID 71894675

IUPAC1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
SMILESCCn1cnnc1CNC(=O)NCC(O)c1ccc(OC)cc1
InChIInChI=1S/C15H21N5O3/c1-3-20-10-18-19-14(20)9-17-15(22)16-8-13(21)11-4-6-12(23-2)7-5-11/h4-7,10,13,21H,3,8-9H2,1-2H3,(H2,16,17,22)
InChIKeySKSXSKVCNXUXQK-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.84
Rot. Bonds7

About 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea

1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea (PubChem CID 71894675) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
PubChem CID71894675
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
SMILESCCn1cnnc1CNC(=O)NCC(O)c1ccc(OC)cc1
InChIInChI=1S/C15H21N5O3/c1-3-20-10-18-19-14(20)9-17-15(22)16-8-13(21)11-4-6-12(23-2)7-5-11/h4-7,10,13,21H,3,8-9H2,1-2H3,(H2,16,17,22)
InChIKeySKSXSKVCNXUXQK-UHFFFAOYSA-N
XLogP0.84
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]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-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea (CID 71894675) is 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea is CCn1cnnc1CNC(=O)NCC(O)c1ccc(OC)cc1.
What is the InChIKey of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is SKSXSKVCNXUXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-3-20-10-18-19-14(20)9-17-15(22)16-8-13(21)11-4-6-12(23-2)7-5-11/h4-7,10,13,21H,3,8-9H2,1-2H3,(H2,16,17,22).
What are the key properties of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea?
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 319.37 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 71894675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).