1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea

C17H14BrN5O — CID 113050107

IUPAC1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Nc2cccc(Br)c2)nn1
InChIInChI=1S/C17H14BrN5O/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/h1-11H,(H,19,22)(H2,20,21,23,24)
InChIKeyQBLABOBZMPAWDG-UHFFFAOYSA-N
MW384.24 g/mol
LogP4.63
Rot. Bonds4

About 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea

1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea (PubChem CID 113050107) has the molecular formula C17H14BrN5O and a molecular weight of 384.24 g/mol. Its IUPAC name is 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea
PubChem CID113050107
Molecular FormulaC17H14BrN5O
Molecular Weight384.24 g/mol
Exact Mass383.04
IUPAC Name1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Nc2cccc(Br)c2)nn1
InChIInChI=1S/C17H14BrN5O/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/h1-11H,(H,19,22)(H2,20,21,23,24)
InChIKeyQBLABOBZMPAWDG-UHFFFAOYSA-N
XLogP4.63
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea 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-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113050115
1-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]-3-phenylurea
CID 113050162
1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea
CID 113049173
1-(3,5-dibromophenyl)-3-phenylurea
CID 25129837
6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126993
6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide
CID 109124920
1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea
CID 113046668
6-(3-bromoanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110543
1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea
CID 113019226
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112848016
6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124484

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea?
The IUPAC name of 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea (CID 113050107) is 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea?
The canonical SMILES for 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(Nc2cccc(Br)c2)nn1.
What is the InChIKey of 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea?
The InChIKey is QBLABOBZMPAWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O/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/h1-11H,(H,19,22)(H2,20,21,23,24).
What are the key properties of 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea?
1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea has a molecular weight of 384.24 g/mol, XLogP of 4.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea is sourced from PubChem (CID 113050107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).