3-[(4-chlorophenyl)methylamino]-6-phenylpyridazine-4-carbonitrile

C18H13ClN4 — CID 6404531

IUPAC3-[(4-chlorophenyl)methylamino]-6-phenylpyridazine-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nnc1NCc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN4/c19-16-8-6-13(7-9-16)12-21-18-15(11-20)10-17(22-23-18)14-4-2-1-3-5-14/h1-10H,12H2,(H,21,23)
InChIKeyQNONUJWUEBSBMH-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.28
Rot. Bonds4

About 3-[(4-chlorophenyl)methylamino]-6-phenylpyridazine-4-carbonitrile

3-[(4-chlorophenyl)methylamino]-6-phenylpyridazine-4-carbonitrile (PubChem CID 6404531) has the molecular formula C18H13ClN4 and a molecular weight of 320.78 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylamino]-6-phenylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylamino]-6-phenylpyridazine-4-carbonitrile
PubChem CID6404531
Molecular FormulaC18H13ClN4
Molecular Weight320.78 g/mol
Exact Mass320.08
IUPAC Name3-[(4-chlorophenyl)methylamino]-6-phenylpyridazine-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nnc1NCc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN4/c19-16-8-6-13(7-9-16)12-21-18-15(11-20)10-17(22-23-18)14-4-2-1-3-5-14/h1-10H,12H2,(H,21,23)
InChIKeyQNONUJWUEBSBMH-UHFFFAOYSA-N
XLogP4.28
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylamino]-6-phenylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(4-chlorophenyl)methylamino]-6-phenylpyridazine-4-carbonitrile (CID 6404531) is 3-[(4-chlorophenyl)methylamino]-6-phenylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(4-chlorophenyl)methylamino]-6-phenylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(4-chlorophenyl)methylamino]-6-phenylpyridazine-4-carbonitrile is N#Cc1cc(-c2ccccc2)nnc1NCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylamino]-6-phenylpyridazine-4-carbonitrile?
The InChIKey is QNONUJWUEBSBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4/c19-16-8-6-13(7-9-16)12-21-18-15(11-20)10-17(22-23-18)14-4-2-1-3-5-14/h1-10H,12H2,(H,21,23).
What are the key properties of 3-[(4-chlorophenyl)methylamino]-6-phenylpyridazine-4-carbonitrile?
3-[(4-chlorophenyl)methylamino]-6-phenylpyridazine-4-carbonitrile has a molecular weight of 320.78 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylamino]-6-phenylpyridazine-4-carbonitrile is sourced from PubChem (CID 6404531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).