4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile

C17H14N8O — CID 70677015

IUPAC4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile
SMILES[H]/N=c1\c(C#N)c(N)c(C#N)nn1-c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H14N8O/c1-10-15(17(26)25(23(10)2)11-6-4-3-5-7-11)24-16(21)12(8-18)14(20)13(9-19)22-24/h3-7,21H,20H2,1-2H3/b21-16+
InChIKeyWNCZTQJASDEADA-LTGZKZEYSA-N
MW346.35 g/mol
LogP0.48
Rot. Bonds2

About 4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile

4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile (PubChem CID 70677015) has the molecular formula C17H14N8O and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile
PubChem CID70677015
Molecular FormulaC17H14N8O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile
SMILES[H]/N=c1\c(C#N)c(N)c(C#N)nn1-c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H14N8O/c1-10-15(17(26)25(23(10)2)11-6-4-3-5-7-11)24-16(21)12(8-18)14(20)13(9-19)22-24/h3-7,21H,20H2,1-2H3/b21-16+
InChIKeyWNCZTQJASDEADA-LTGZKZEYSA-N
XLogP0.48
TPSA142.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile
CID 616643
(3aR,4R,7S,7aR)-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 6548715
4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 13330527
8-amino-7-benzoyl-3-imino-6-oxo-2-phenyl-5H-pyrido[3,2-c]pyridazine-4-carbonitrile
CID 135458218
1,5-dimethyl-2-phenyl-4-[1,2,2-tris(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethyl]pyrazol-3-one
CID 3366535
1,5-dimethyl-4-[5-[(4-methylphenyl)methylsulfanyl]tetrazol-1-yl]-2-phenylpyrazol-3-one
CID 17429266
6-benzoyl-2-(2-chlorophenyl)-3-imino-5-methylpyridazine-4-carbonitrile
CID 826700
ethyl 4-amino-8-cyano-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 102119230
4,5-diamino-1-butylpyrazole-3-carbonitrile;4,5-diamino-1-phenylpyrazole-3-carbonitrile
CID 157237924
4-(4-imino-2-oxopentyl)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 91302146
6-oxo-1-phenyl-4-[(E)-2-phenylethenyl]pyridazine-3,5-dicarbonitrile
CID 14381173
4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile
CID 1473632

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile?
The IUPAC name of 4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile (CID 70677015) is 4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile.
What is the SMILES notation for 4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile?
The canonical SMILES for 4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile is [H]/N=c1\c(C#N)c(N)c(C#N)nn1-c1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile?
The InChIKey is WNCZTQJASDEADA-LTGZKZEYSA-N. The full InChI is InChI=1S/C17H14N8O/c1-10-15(17(26)25(23(10)2)11-6-4-3-5-7-11)24-16(21)12(8-18)14(20)13(9-19)22-24/h3-7,21H,20H2,1-2H3/b21-16+.
What are the key properties of 4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile?
4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile has a molecular weight of 346.35 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile is sourced from PubChem (CID 70677015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).