1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea

C16H18ClN5O — CID 113045279

IUPAC1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea
SMILESO=C(Nc1ccc(NCCc2cccc(Cl)c2)nn1)NC1CC1
InChIInChI=1S/C16H18ClN5O/c17-12-3-1-2-11(10-12)8-9-18-14-6-7-15(22-21-14)20-16(23)19-13-4-5-13/h1-3,6-7,10,13H,4-5,8-9H2,(H,18,21)(H2,19,20,22,23)
InChIKeyJQEIOKNNNYEVIO-UHFFFAOYSA-N
MW331.81 g/mol
LogP3.07
Rot. Bonds6

About 1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea

1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea (PubChem CID 113045279) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea
PubChem CID113045279
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea
SMILESO=C(Nc1ccc(NCCc2cccc(Cl)c2)nn1)NC1CC1
InChIInChI=1S/C16H18ClN5O/c17-12-3-1-2-11(10-12)8-9-18-14-6-7-15(22-21-14)20-16(23)19-13-4-5-13/h1-3,6-7,10,13H,4-5,8-9H2,(H,18,21)(H2,19,20,22,23)
InChIKeyJQEIOKNNNYEVIO-UHFFFAOYSA-N
XLogP3.07
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea
CID 113015835
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
CID 109112342
N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide
CID 113045233
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247342
1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea
CID 113042810
1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047482
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851893
N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109124842
1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea
CID 113039466
1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea
CID 113050834
5-[2-(3-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109182977
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109298111

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea?
The IUPAC name of 1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea (CID 113045279) is 1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea.
What is the SMILES notation for 1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea?
The canonical SMILES for 1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea is O=C(Nc1ccc(NCCc2cccc(Cl)c2)nn1)NC1CC1.
What is the InChIKey of 1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea?
The InChIKey is JQEIOKNNNYEVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c17-12-3-1-2-11(10-12)8-9-18-14-6-7-15(22-21-14)20-16(23)19-13-4-5-13/h1-3,6-7,10,13H,4-5,8-9H2,(H,18,21)(H2,19,20,22,23).
What are the key properties of 1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea?
1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea has a molecular weight of 331.81 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea is sourced from PubChem (CID 113045279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).