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

C14H14N6O — CID 142653939

IUPAC2-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinyl]propanedinitrile
SMILESCC1CC(=O)NN=C1c1ccc(NNC(C#N)C#N)cc1
InChIInChI=1S/C14H14N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,12,17-18H,6H2,1H3,(H,19,21)
InChIKeyFSGHVUGECDQYJO-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.88
Rot. Bonds4

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

2-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinyl]propanedinitrile (PubChem CID 142653939) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinyl]propanedinitrile.

Molecular Properties

Compound Name2-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinyl]propanedinitrile
PubChem CID142653939
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name2-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinyl]propanedinitrile
SMILESCC1CC(=O)NN=C1c1ccc(NNC(C#N)C#N)cc1
InChIInChI=1S/C14H14N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,12,17-18H,6H2,1H3,(H,19,21)
InChIKeyFSGHVUGECDQYJO-UHFFFAOYSA-N
XLogP0.88
TPSA113.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile
CID 3033825
N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323
2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
CID 13193381
(4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 154664066
2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 22160509
3-[4-(dichloromethoxymethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 70572990
(1E)-2-amino-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-2-oxoethanimidoyl cyanide
CID 15045640
2-amino-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-2-oxoethanimidoyl cyanide
CID 72743802
(4R)-3-[4-[3,5-bis(trifluoromethyl)anilino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 171679025
3-[4-(3,5-dimethoxyanilino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 171679012
2,3-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-oxopentanethioamide
CID 88654008
4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
CID 14623690

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinyl]propanedinitrile?
The IUPAC name of 2-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinyl]propanedinitrile (CID 142653939) is 2-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinyl]propanedinitrile.
What is the SMILES notation for 2-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinyl]propanedinitrile?
The canonical SMILES for 2-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinyl]propanedinitrile is CC1CC(=O)NN=C1c1ccc(NNC(C#N)C#N)cc1.
What is the InChIKey of 2-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinyl]propanedinitrile?
The InChIKey is FSGHVUGECDQYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,12,17-18H,6H2,1H3,(H,19,21).
What are the key properties of 2-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinyl]propanedinitrile?
2-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinyl]propanedinitrile has a molecular weight of 282.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinyl]propanedinitrile is sourced from PubChem (CID 142653939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).