1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea

C16H17ClN4O2 — CID 122278171

IUPAC1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea
SMILESO=C(NCCn1nc(C2CC2)ccc1=O)Nc1ccccc1Cl
InChIInChI=1S/C16H17ClN4O2/c17-12-3-1-2-4-14(12)19-16(23)18-9-10-21-15(22)8-7-13(20-21)11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H2,18,19,23)
InChIKeyCKTRPEJFKIWLHD-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.60
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea

1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea (PubChem CID 122278171) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea
PubChem CID122278171
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea
SMILESO=C(NCCn1nc(C2CC2)ccc1=O)Nc1ccccc1Cl
InChIInChI=1S/C16H17ClN4O2/c17-12-3-1-2-4-14(12)19-16(23)18-9-10-21-15(22)8-7-13(20-21)11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H2,18,19,23)
InChIKeyCKTRPEJFKIWLHD-UHFFFAOYSA-N
XLogP2.60
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea
CID 122246350
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea
CID 122278182
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277955
1-cyclopentyl-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea
CID 122278186
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylpropanamide
CID 122277842
1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948615
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 122277796
1-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121139465
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide
CID 122277843
3-(3-chlorophenyl)-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]propanamide
CID 122246339
1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea
CID 121078301
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-fluorobenzamide
CID 122277818

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea (CID 122278171) is 1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea is O=C(NCCn1nc(C2CC2)ccc1=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea?
The InChIKey is CKTRPEJFKIWLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-12-3-1-2-4-14(12)19-16(23)18-9-10-21-15(22)8-7-13(20-21)11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H2,18,19,23).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea?
1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea has a molecular weight of 332.79 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea is sourced from PubChem (CID 122278171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).