1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea

C15H16BrN5O — CID 113050196

IUPAC1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea
SMILESCc1cc(Nc2ccc(NC(=O)NC3CC3)nn2)ccc1Br
InChIInChI=1S/C15H16BrN5O/c1-9-8-11(4-5-12(9)16)17-13-6-7-14(21-20-13)19-15(22)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,17,20)(H2,18,19,21,22)
InChIKeyXKYUMMVISJJKRN-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.58
Rot. Bonds4

About 1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea

1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea (PubChem CID 113050196) has the molecular formula C15H16BrN5O and a molecular weight of 362.23 g/mol. Its IUPAC name is 1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea
PubChem CID113050196
Molecular FormulaC15H16BrN5O
Molecular Weight362.23 g/mol
Exact Mass361.05
IUPAC Name1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea
SMILESCc1cc(Nc2ccc(NC(=O)NC3CC3)nn2)ccc1Br
InChIInChI=1S/C15H16BrN5O/c1-9-8-11(4-5-12(9)16)17-13-6-7-14(21-20-13)19-15(22)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,17,20)(H2,18,19,21,22)
InChIKeyXKYUMMVISJJKRN-UHFFFAOYSA-N
XLogP3.58
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
CID 47127436
1-[6-(4-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113048047
1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113050115
1-[6-(4-chloroanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113047575
1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea
CID 113049629
N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049312
1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea
CID 113049902
N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113048072
1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea
CID 113048333
1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047848
methyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate
CID 113048068
1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047482

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea?
The IUPAC name of 1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea (CID 113050196) is 1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea.
What is the SMILES notation for 1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea?
The canonical SMILES for 1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea is Cc1cc(Nc2ccc(NC(=O)NC3CC3)nn2)ccc1Br.
What is the InChIKey of 1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea?
The InChIKey is XKYUMMVISJJKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5O/c1-9-8-11(4-5-12(9)16)17-13-6-7-14(21-20-13)19-15(22)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,17,20)(H2,18,19,21,22).
What are the key properties of 1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea?
1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea has a molecular weight of 362.23 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea is sourced from PubChem (CID 113050196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).