1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea

C17H17ClN6O2 — CID 121078301

About 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea

1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea (PubChem CID 121078301) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea
• PubChem CID: 121078301
• Molecular Formula: C17H17ClN6O2
• Molecular Weight: 372.82 g/mol
• Exact Mass: 372.11
• IUPAC Name: 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea
• SMILES: Cn1c(-c2ccccn2)nn(CCNC(=O)Nc2ccccc2Cl)c1=O
• InChI: InChI=1S/C17H17ClN6O2/c1-23-15(14-8-4-5-9-19-14)22-24(17(23)26)11-10-20-16(25)21-13-7-3-2-6-12(13)18/h2-9H,10-11H2,1H3,(H2,20,21,25)
• InChIKey: DPNFIVUCYQUNKO-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 93.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.82
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea?

The IUPAC name of 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea (CID 121078301) is 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea.

What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea?

The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea is Cn1c(-c2ccccn2)nn(CCNC(=O)Nc2ccccc2Cl)c1=O.

What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea?

The InChIKey is DPNFIVUCYQUNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2/c1-23-15(14-8-4-5-9-19-14)22-24(17(23)26)11-10-20-16(25)21-13-7-3-2-6-12(13)18/h2-9H,10-11H2,1H3,(H2,20,21,25).

What are the key properties of 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea?

1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea has a molecular weight of 372.82 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea is sourced from PubChem (CID 121078301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).