1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea

C16H20N4O2 — CID 30948625

IUPAC1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
SMILESCc1cc(C)cc(NC(=O)NCCCn2ncccc2=O)c1
InChIInChI=1S/C16H20N4O2/c1-12-9-13(2)11-14(10-12)19-16(22)17-6-4-8-20-15(21)5-3-7-18-20/h3,5,7,9-11H,4,6,8H2,1-2H3,(H2,17,19,22)
InChIKeyUOCVIPWANYWZLC-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.07
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea

1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea (PubChem CID 30948625) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
PubChem CID30948625
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
SMILESCc1cc(C)cc(NC(=O)NCCCn2ncccc2=O)c1
InChIInChI=1S/C16H20N4O2/c1-12-9-13(2)11-14(10-12)19-16(22)17-6-4-8-20-15(21)5-3-7-18-20/h3,5,7,9-11H,4,6,8H2,1-2H3,(H2,17,19,22)
InChIKeyUOCVIPWANYWZLC-UHFFFAOYSA-N
XLogP2.07
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948649
1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948399
1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948615
1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948397
2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
CID 30948558
2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide
CID 121068674
4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide
CID 30948657
N-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide
CID 30948474
2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
CID 30948534
2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
CID 30948423
1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(3,5-dimethylphenyl)urea
CID 23609343
2-nitro-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
CID 30948429

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea (CID 30948625) is 1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea is Cc1cc(C)cc(NC(=O)NCCCn2ncccc2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The InChIKey is UOCVIPWANYWZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-9-13(2)11-14(10-12)19-16(22)17-6-4-8-20-15(21)5-3-7-18-20/h3,5,7,9-11H,4,6,8H2,1-2H3,(H2,17,19,22).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea has a molecular weight of 300.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea is sourced from PubChem (CID 30948625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).