3-N,6-N-bis(4-bromophenyl)pyridazine-3,6-diamine

C16H12Br2N4 — CID 6413000

IUPAC3-N,6-N-bis(4-bromophenyl)pyridazine-3,6-diamine
SMILESBrc1ccc(Nc2ccc(Nc3ccc(Br)cc3)nn2)cc1
InChIInChI=1S/C16H12Br2N4/c17-11-1-5-13(6-2-11)19-15-9-10-16(22-21-15)20-14-7-3-12(18)4-8-14/h1-10H,(H,19,21)(H,20,22)
InChIKeyMCLBDHUYOIOVMJ-UHFFFAOYSA-N
MW420.11 g/mol
LogP5.49
Rot. Bonds4

About 3-N,6-N-bis(4-bromophenyl)pyridazine-3,6-diamine

3-N,6-N-bis(4-bromophenyl)pyridazine-3,6-diamine (PubChem CID 6413000) has the molecular formula C16H12Br2N4 and a molecular weight of 420.11 g/mol. Its IUPAC name is 3-N,6-N-bis(4-bromophenyl)pyridazine-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-bis(4-bromophenyl)pyridazine-3,6-diamine
PubChem CID6413000
Molecular FormulaC16H12Br2N4
Molecular Weight420.11 g/mol
Exact Mass417.94
IUPAC Name3-N,6-N-bis(4-bromophenyl)pyridazine-3,6-diamine
SMILESBrc1ccc(Nc2ccc(Nc3ccc(Br)cc3)nn2)cc1
InChIInChI=1S/C16H12Br2N4/c17-11-1-5-13(6-2-11)19-15-9-10-16(22-21-15)20-14-7-3-12(18)4-8-14/h1-10H,(H,19,21)(H,20,22)
InChIKeyMCLBDHUYOIOVMJ-UHFFFAOYSA-N
XLogP5.49
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.11
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,6-N-bis(4-methylphenyl)pyridazine-3,6-diamine
CID 6411430
1-[6-(4-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113048047
N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128469
[6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114727
6-(4-bromoanilino)-3-methoxypyridazine-4-carboxylic acid
CID 117102947
N-(4-bromophenyl)-5-chloropyrazin-2-amine
CID 131014354
N-(4-bromophenyl)pyrimidin-5-amine
CID 115046650
1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine
CID 139138135
4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876895
N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126897
3-(4-bromophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 1336331
N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320750

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-bis(4-bromophenyl)pyridazine-3,6-diamine?
The IUPAC name of 3-N,6-N-bis(4-bromophenyl)pyridazine-3,6-diamine (CID 6413000) is 3-N,6-N-bis(4-bromophenyl)pyridazine-3,6-diamine.
What is the SMILES notation for 3-N,6-N-bis(4-bromophenyl)pyridazine-3,6-diamine?
The canonical SMILES for 3-N,6-N-bis(4-bromophenyl)pyridazine-3,6-diamine is Brc1ccc(Nc2ccc(Nc3ccc(Br)cc3)nn2)cc1.
What is the InChIKey of 3-N,6-N-bis(4-bromophenyl)pyridazine-3,6-diamine?
The InChIKey is MCLBDHUYOIOVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N4/c17-11-1-5-13(6-2-11)19-15-9-10-16(22-21-15)20-14-7-3-12(18)4-8-14/h1-10H,(H,19,21)(H,20,22).
What are the key properties of 3-N,6-N-bis(4-bromophenyl)pyridazine-3,6-diamine?
3-N,6-N-bis(4-bromophenyl)pyridazine-3,6-diamine has a molecular weight of 420.11 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-bis(4-bromophenyl)pyridazine-3,6-diamine is sourced from PubChem (CID 6413000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).