1-(4-chlorophenyl)-3-[(6-methylpyridazin-3-yl)amino]urea

C12H12ClN5O — CID 6409881

IUPAC1-(4-chlorophenyl)-3-[(6-methylpyridazin-3-yl)amino]urea
SMILESCc1ccc(NNC(=O)Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C12H12ClN5O/c1-8-2-7-11(16-15-8)17-18-12(19)14-10-5-3-9(13)4-6-10/h2-7H,1H3,(H,16,17)(H2,14,18,19)
InChIKeyIARXQYKAGGLXIZ-UHFFFAOYSA-N
MW277.72 g/mol
LogP2.59
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[(6-methylpyridazin-3-yl)amino]urea

1-(4-chlorophenyl)-3-[(6-methylpyridazin-3-yl)amino]urea (PubChem CID 6409881) has the molecular formula C12H12ClN5O and a molecular weight of 277.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(6-methylpyridazin-3-yl)amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(6-methylpyridazin-3-yl)amino]urea
PubChem CID6409881
Molecular FormulaC12H12ClN5O
Molecular Weight277.72 g/mol
Exact Mass277.07
IUPAC Name1-(4-chlorophenyl)-3-[(6-methylpyridazin-3-yl)amino]urea
SMILESCc1ccc(NNC(=O)Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C12H12ClN5O/c1-8-2-7-11(16-15-8)17-18-12(19)14-10-5-3-9(13)4-6-10/h2-7H,1H3,(H,16,17)(H2,14,18,19)
InChIKeyIARXQYKAGGLXIZ-UHFFFAOYSA-N
XLogP2.59
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(6-methylpyridazin-3-yl)amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(6-methylpyridazin-3-yl)amino]urea (CID 6409881) is 1-(4-chlorophenyl)-3-[(6-methylpyridazin-3-yl)amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(6-methylpyridazin-3-yl)amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(6-methylpyridazin-3-yl)amino]urea is Cc1ccc(NNC(=O)Nc2ccc(Cl)cc2)nn1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(6-methylpyridazin-3-yl)amino]urea?
The InChIKey is IARXQYKAGGLXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c1-8-2-7-11(16-15-8)17-18-12(19)14-10-5-3-9(13)4-6-10/h2-7H,1H3,(H,16,17)(H2,14,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-[(6-methylpyridazin-3-yl)amino]urea?
1-(4-chlorophenyl)-3-[(6-methylpyridazin-3-yl)amino]urea has a molecular weight of 277.72 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(6-methylpyridazin-3-yl)amino]urea is sourced from PubChem (CID 6409881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).