6-phenyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridazin-3-amine

C20H20N4 — CID 172991352

IUPAC6-phenyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridazin-3-amine
SMILESCC(C)c1ccc(C=NNc2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C20H20N4/c1-15(2)17-10-8-16(9-11-17)14-21-23-20-13-12-19(22-24-20)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,23,24)
InChIKeyMKXUJNMZEZWVLX-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.71
Rot. Bonds5

About 6-phenyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridazin-3-amine

6-phenyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridazin-3-amine (PubChem CID 172991352) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 6-phenyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridazin-3-amine.

Molecular Properties

Compound Name6-phenyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridazin-3-amine
PubChem CID172991352
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name6-phenyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridazin-3-amine
SMILESCC(C)c1ccc(C=NNc2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C20H20N4/c1-15(2)17-10-8-16(9-11-17)14-21-23-20-13-12-19(22-24-20)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,23,24)
InChIKeyMKXUJNMZEZWVLX-UHFFFAOYSA-N
XLogP4.71
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine
CID 6413765
N-[(E)-benzylideneamino]-6-methoxypyridazin-3-amine
CID 139215659
4-(4-bromophenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 22308276
N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 5338896
6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine
CID 139227329
4-(4-chlorophenyl)-N-[(4-propan-2-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 5230372
6-methyl-3-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135402301
4-[(Z)-[(2,6-diphenylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 136767762
4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
CID 135518631
3-[(2Z)-2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135958941
N-[(4-chlorophenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6790294
[(E)-(4-propan-2-ylphenyl)methylideneamino]thiourea
CID 6474556

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridazin-3-amine?
The IUPAC name of 6-phenyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridazin-3-amine (CID 172991352) is 6-phenyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridazin-3-amine.
What is the SMILES notation for 6-phenyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridazin-3-amine?
The canonical SMILES for 6-phenyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridazin-3-amine is CC(C)c1ccc(C=NNc2ccc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 6-phenyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridazin-3-amine?
The InChIKey is MKXUJNMZEZWVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-15(2)17-10-8-16(9-11-17)14-21-23-20-13-12-19(22-24-20)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,23,24).
What are the key properties of 6-phenyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridazin-3-amine?
6-phenyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridazin-3-amine has a molecular weight of 316.41 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-[(4-propan-2-ylphenyl)methylideneamino]pyridazin-3-amine is sourced from PubChem (CID 172991352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).