3-N,5-N-bis(4-methylphenyl)-6-phenylpyridazine-3,5-diamine

C24H22N4 — CID 143573138

IUPAC3-N,5-N-bis(4-methylphenyl)-6-phenylpyridazine-3,5-diamine
SMILESCc1ccc(Nc2cc(Nc3ccc(C)cc3)c(-c3ccccc3)nn2)cc1
InChIInChI=1S/C24H22N4/c1-17-8-12-20(13-9-17)25-22-16-23(26-21-14-10-18(2)11-15-21)27-28-24(22)19-6-4-3-5-7-19/h3-16H,1-2H3,(H2,25,26,27)
InChIKeyKLBIPYHHRRKHHG-UHFFFAOYSA-N
MW366.47 g/mol
LogP6.25
Rot. Bonds5

About 3-N,5-N-bis(4-methylphenyl)-6-phenylpyridazine-3,5-diamine

3-N,5-N-bis(4-methylphenyl)-6-phenylpyridazine-3,5-diamine (PubChem CID 143573138) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-N,5-N-bis(4-methylphenyl)-6-phenylpyridazine-3,5-diamine.

Molecular Properties

Compound Name3-N,5-N-bis(4-methylphenyl)-6-phenylpyridazine-3,5-diamine
PubChem CID143573138
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name3-N,5-N-bis(4-methylphenyl)-6-phenylpyridazine-3,5-diamine
SMILESCc1ccc(Nc2cc(Nc3ccc(C)cc3)c(-c3ccccc3)nn2)cc1
InChIInChI=1S/C24H22N4/c1-17-8-12-20(13-9-17)25-22-16-23(26-21-14-10-18(2)11-15-21)27-28-24(22)19-6-4-3-5-7-19/h3-16H,1-2H3,(H2,25,26,27)
InChIKeyKLBIPYHHRRKHHG-UHFFFAOYSA-N
XLogP6.25
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(4-methylphenyl)-6-phenylpyridazine-3,5-diamine?
The IUPAC name of 3-N,5-N-bis(4-methylphenyl)-6-phenylpyridazine-3,5-diamine (CID 143573138) is 3-N,5-N-bis(4-methylphenyl)-6-phenylpyridazine-3,5-diamine.
What is the SMILES notation for 3-N,5-N-bis(4-methylphenyl)-6-phenylpyridazine-3,5-diamine?
The canonical SMILES for 3-N,5-N-bis(4-methylphenyl)-6-phenylpyridazine-3,5-diamine is Cc1ccc(Nc2cc(Nc3ccc(C)cc3)c(-c3ccccc3)nn2)cc1.
What is the InChIKey of 3-N,5-N-bis(4-methylphenyl)-6-phenylpyridazine-3,5-diamine?
The InChIKey is KLBIPYHHRRKHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-17-8-12-20(13-9-17)25-22-16-23(26-21-14-10-18(2)11-15-21)27-28-24(22)19-6-4-3-5-7-19/h3-16H,1-2H3,(H2,25,26,27).
What are the key properties of 3-N,5-N-bis(4-methylphenyl)-6-phenylpyridazine-3,5-diamine?
3-N,5-N-bis(4-methylphenyl)-6-phenylpyridazine-3,5-diamine has a molecular weight of 366.47 g/mol, XLogP of 6.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(4-methylphenyl)-6-phenylpyridazine-3,5-diamine is sourced from PubChem (CID 143573138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).