5-(4-cyanoanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbonitrile

C20H15N5O — CID 11348411

IUPAC5-(4-cyanoanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbonitrile
SMILESCCn1nc(-c2ccccc2)c(C#N)c(Nc2ccc(C#N)cc2)c1=O
InChIInChI=1S/C20H15N5O/c1-2-25-20(26)19(23-16-10-8-14(12-21)9-11-16)17(13-22)18(24-25)15-6-4-3-5-7-15/h3-11,23H,2H2,1H3
InChIKeyMVIIHNPXGBHBOW-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.42
Rot. Bonds4

About 5-(4-cyanoanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbonitrile

5-(4-cyanoanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbonitrile (PubChem CID 11348411) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-(4-cyanoanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name5-(4-cyanoanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbonitrile
PubChem CID11348411
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name5-(4-cyanoanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbonitrile
SMILESCCn1nc(-c2ccccc2)c(C#N)c(Nc2ccc(C#N)cc2)c1=O
InChIInChI=1S/C20H15N5O/c1-2-25-20(26)19(23-16-10-8-14(12-21)9-11-16)17(13-22)18(24-25)15-6-4-3-5-7-15/h3-11,23H,2H2,1H3
InChIKeyMVIIHNPXGBHBOW-UHFFFAOYSA-N
XLogP3.42
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-(4-fluorophenyl)-5-[4-(hydroxymethyl)anilino]-6-oxopyridazine-4-carbonitrile
CID 11314512
4-[(2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]benzonitrile
CID 11162871
5-acetyl-2-ethyl-4-[4-(hydroxymethyl)anilino]-6-phenylpyridazin-3-one
CID 11726227
4-[(2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]benzonitrile
CID 11404329
5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid
CID 67108643
4-[[2-ethyl-6-(1-oxidopyridin-1-ium-3-yl)-3-oxopyridazin-4-yl]amino]benzonitrile
CID 11209796
5-(3-chloroanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbaldehyde
CID 87716658
4-[(2-benzyl-3,5-dioxo-6-phenyl-1,2,4-triazin-4-yl)methyl]benzonitrile
CID 171781835
2-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenyl-4-(3,4,5-trifluoroanilino)pyridazin-3-one
CID 11293252
methyl 4-[1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazin-4-yl]butanoate
CID 90916888
3-amino-5-anilino-1-ethylpyrazole-4-carbonitrile
CID 68758151
1-ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile
CID 46887469

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanoanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbonitrile?
The IUPAC name of 5-(4-cyanoanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbonitrile (CID 11348411) is 5-(4-cyanoanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbonitrile.
What is the SMILES notation for 5-(4-cyanoanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbonitrile?
The canonical SMILES for 5-(4-cyanoanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbonitrile is CCn1nc(-c2ccccc2)c(C#N)c(Nc2ccc(C#N)cc2)c1=O.
What is the InChIKey of 5-(4-cyanoanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbonitrile?
The InChIKey is MVIIHNPXGBHBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-2-25-20(26)19(23-16-10-8-14(12-21)9-11-16)17(13-22)18(24-25)15-6-4-3-5-7-15/h3-11,23H,2H2,1H3.
What are the key properties of 5-(4-cyanoanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbonitrile?
5-(4-cyanoanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbonitrile has a molecular weight of 341.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanoanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbonitrile is sourced from PubChem (CID 11348411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).