1-(3-chloro-2-methylphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea

C14H15ClN4O2 — CID 30942538

IUPAC1-(3-chloro-2-methylphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea
SMILESCc1c(Cl)cccc1NC(=O)NCCn1ncccc1=O
InChIInChI=1S/C14H15ClN4O2/c1-10-11(15)4-2-5-12(10)18-14(21)16-8-9-19-13(20)6-3-7-17-19/h2-7H,8-9H2,1H3,(H2,16,18,21)
InChIKeyFVJNGMTWZGWYSD-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.03
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea

1-(3-chloro-2-methylphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea (PubChem CID 30942538) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea
PubChem CID30942538
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea
SMILESCc1c(Cl)cccc1NC(=O)NCCn1ncccc1=O
InChIInChI=1S/C14H15ClN4O2/c1-10-11(15)4-2-5-12(10)18-14(21)16-8-9-19-13(20)6-3-7-17-19/h2-7H,8-9H2,1H3,(H2,16,18,21)
InChIKeyFVJNGMTWZGWYSD-UHFFFAOYSA-N
XLogP2.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-2-methylphenyl)-3-[2-(6-oxopyridazin-1-yl)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-(3-chloro-2-methylphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea (CID 30942538) is 1-(3-chloro-2-methylphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea is Cc1c(Cl)cccc1NC(=O)NCCn1ncccc1=O.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea?
The InChIKey is FVJNGMTWZGWYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-10-11(15)4-2-5-12(10)18-14(21)16-8-9-19-13(20)6-3-7-17-19/h2-7H,8-9H2,1H3,(H2,16,18,21).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea?
1-(3-chloro-2-methylphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea has a molecular weight of 306.75 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea is sourced from PubChem (CID 30942538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).