1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea

C17H20ClN5O — CID 113047482

IUPAC1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea
SMILESO=C(Nc1ccc(Nc2cccc(Cl)c2)nn1)NC1CCCCC1
InChIInChI=1S/C17H20ClN5O/c18-12-5-4-8-14(11-12)19-15-9-10-16(23-22-15)21-17(24)20-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7H2,(H,19,22)(H2,20,21,23,24)
InChIKeyPFDXRFDXYJQOPU-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.33
Rot. Bonds4

About 1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea

1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea (PubChem CID 113047482) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea
PubChem CID113047482
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea
SMILESO=C(Nc1ccc(Nc2cccc(Cl)c2)nn1)NC1CCCCC1
InChIInChI=1S/C17H20ClN5O/c18-12-5-4-8-14(11-12)19-15-9-10-16(23-22-15)21-17(24)20-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7H2,(H,19,22)(H2,20,21,23,24)
InChIKeyPFDXRFDXYJQOPU-UHFFFAOYSA-N
XLogP4.33
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047848
1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113050115
1-[6-(4-chloroanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113047575
N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049312
1-(4-chloro-2-pyridinyl)-3-cyclopentylurea
CID 108902776
1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea
CID 113048333
1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea
CID 113045279
1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea
CID 113050834
6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341488
5-(3-chloroanilino)-N-cycloheptyl-2H-triazole-4-carboxamide
CID 50929119
6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide
CID 109364026
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea?
The IUPAC name of 1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea (CID 113047482) is 1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea.
What is the SMILES notation for 1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea?
The canonical SMILES for 1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea is O=C(Nc1ccc(Nc2cccc(Cl)c2)nn1)NC1CCCCC1.
What is the InChIKey of 1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea?
The InChIKey is PFDXRFDXYJQOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c18-12-5-4-8-14(11-12)19-15-9-10-16(23-22-15)21-17(24)20-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7H2,(H,19,22)(H2,20,21,23,24).
What are the key properties of 1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea?
1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea has a molecular weight of 345.83 g/mol, XLogP of 4.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea is sourced from PubChem (CID 113047482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).