2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile

C10H6N6O2 — CID 169338596

IUPAC2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile
SMILESCOc1ccc(NN=C(C#N)C#N)c2nonc12
InChIInChI=1S/C10H6N6O2/c1-17-8-3-2-7(9-10(8)16-18-15-9)14-13-6(4-11)5-12/h2-3,14H,1H3
InChIKeyDGEFODVKGNBWFY-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.05
Rot. Bonds3

About 2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile

2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile (PubChem CID 169338596) has the molecular formula C10H6N6O2 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile
PubChem CID169338596
Molecular FormulaC10H6N6O2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Name2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile
SMILESCOc1ccc(NN=C(C#N)C#N)c2nonc12
InChIInChI=1S/C10H6N6O2/c1-17-8-3-2-7(9-10(8)16-18-15-9)14-13-6(4-11)5-12/h2-3,14H,1H3
InChIKeyDGEFODVKGNBWFY-UHFFFAOYSA-N
XLogP1.05
TPSA120.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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
2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile
CID 169340242
2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340237
2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile
CID 169338095
2-[(2-iodo-4-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337862
3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide
CID 169341777
2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341784
2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile
CID 169341191
2-[(4-bromo-2-methoxy-3-methylphenyl)hydrazinylidene]propanedinitrile
CID 169338883
2-[(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile
CID 169340787
2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338491
2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340815

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile (CID 169338596) is 2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile is COc1ccc(NN=C(C#N)C#N)c2nonc12.
What is the InChIKey of 2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile?
The InChIKey is DGEFODVKGNBWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6O2/c1-17-8-3-2-7(9-10(8)16-18-15-9)14-13-6(4-11)5-12/h2-3,14H,1H3.
What are the key properties of 2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile?
2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile has a molecular weight of 242.20 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169338596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).