N-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine

C17H21ClN4 — CID 70432124

IUPACN-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine
SMILESCCC(C)(CC)c1ccc(NN=Cc2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H21ClN4/c1-4-17(3,5-2)15-10-11-16(22-20-15)21-19-12-13-6-8-14(18)9-7-13/h6-12H,4-5H2,1-3H3,(H,21,22)
InChIKeyUEYHCNOKELPYJK-UHFFFAOYSA-N
MW316.84 g/mol
LogP4.65
Rot. Bonds6

About N-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine

N-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine (PubChem CID 70432124) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine
PubChem CID70432124
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine
SMILESCCC(C)(CC)c1ccc(NN=Cc2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H21ClN4/c1-4-17(3,5-2)15-10-11-16(22-20-15)21-19-12-13-6-8-14(18)9-7-13/h6-12H,4-5H2,1-3H3,(H,21,22)
InChIKeyUEYHCNOKELPYJK-UHFFFAOYSA-N
XLogP4.65
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 54.65
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine (CID 70432124) is N-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine is CCC(C)(CC)c1ccc(NN=Cc2ccc(Cl)cc2)nn1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine?
The InChIKey is UEYHCNOKELPYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-4-17(3,5-2)15-10-11-16(22-20-15)21-19-12-13-6-8-14(18)9-7-13/h6-12H,4-5H2,1-3H3,(H,21,22).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine?
N-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine has a molecular weight of 316.84 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine is sourced from PubChem (CID 70432124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).