2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile

C12H12N4O2 — CID 169338095

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile
SMILESCOc1cc(C)c(NN=C(C#N)C#N)cc1OC
InChIInChI=1S/C12H12N4O2/c1-8-4-11(17-2)12(18-3)5-10(8)16-15-9(6-13)7-14/h4-5,16H,1-3H3
InChIKeyGCNRSAUBPAYHRJ-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.83
Rot. Bonds4

About 2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile

2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile (PubChem CID 169338095) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile
PubChem CID169338095
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile
SMILESCOc1cc(C)c(NN=C(C#N)C#N)cc1OC
InChIInChI=1S/C12H12N4O2/c1-8-4-11(17-2)12(18-3)5-10(8)16-15-9(6-13)7-14/h4-5,16H,1-3H3
InChIKeyGCNRSAUBPAYHRJ-UHFFFAOYSA-N
XLogP1.83
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-[(4-bromo-2-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341937
methyl 5-bromo-4-[2-(dicyanomethylidene)hydrazinyl]-2-methoxybenzoate
CID 169338794
2-[(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile
CID 169340787
methyl 3-[2-(dicyanomethylidene)hydrazinyl]-4-hydroxy-5-methoxybenzoate
CID 169340084
3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide
CID 169341777
2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340237
methyl 4-bromo-2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzoate
CID 169338130
2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile
CID 169338596
[5-[2-(dicyanomethylidene)hydrazinyl]-4-fluoro-2-methylphenyl] trifluoromethanesulfonate
CID 169338697
2-[(2-iodo-4-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337862
2-[(3,4-difluoro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341897
2-[(2-methyl-4-phenylphenyl)hydrazinylidene]propanedinitrile
CID 169341630

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile (CID 169338095) is 2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile is COc1cc(C)c(NN=C(C#N)C#N)cc1OC.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is GCNRSAUBPAYHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8-4-11(17-2)12(18-3)5-10(8)16-15-9(6-13)7-14/h4-5,16H,1-3H3.
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile?
2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 244.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169338095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).