2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile

C14H12N6O — CID 3033825

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IUPAC2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile
SMILESC[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1
InChIInChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1
InChIKeyWHXMKTBCFHIYNQ-SECBINFHSA-N
MW280.29 g/mol
LogP1.36
Rot. Bonds3

About 2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile

2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile (PubChem CID 3033825) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile
PubChem CID3033825
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile
SMILESC[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1
InChIInChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1
InChIKeyWHXMKTBCFHIYNQ-SECBINFHSA-N
XLogP1.36
TPSA113.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile with MolForge

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Related Compounds

OR-1896
CID 9816296
Simendan
CID 60867
2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]guanidine
CID 139386310
Dnmdp-2
CID 71576742
3H-Indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-tetrahydro-7-amino-
CID 357997
Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-8-amino-, (+-)-
CID 13603301
Ici 109,081
CID 161928
(R)-6-(4-Aminophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one
CID 10465484
3-[4-(diethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 71576739
(R)-6-(4-(ethylamino)phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one
CID 71576767
N-(4-(4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl)acetamide
CID 10131079
3-(4-aminophenyl)-5-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 13812162

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile (CID 3033825) is 2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile is C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1.
What is the InChIKey of 2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is WHXMKTBCFHIYNQ-SECBINFHSA-N. The full InChI is InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1.
What are the key properties of 2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile?
2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 280.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 3033825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).