2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile

C12H9N7O — CID 169340237

IUPAC2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCOc1ccc(-n2cnnc2)cc1NN=C(C#N)C#N
InChIInChI=1S/C12H9N7O/c1-20-12-3-2-10(19-7-15-16-8-19)4-11(12)18-17-9(5-13)6-14/h2-4,7-8,18H,1H3
InChIKeyFHJJTAGMPJJLKZ-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.09
Rot. Bonds4

About 2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile

2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169340237) has the molecular formula C12H9N7O and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169340237
Molecular FormulaC12H9N7O
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCOc1ccc(-n2cnnc2)cc1NN=C(C#N)C#N
InChIInChI=1S/C12H9N7O/c1-20-12-3-2-10(19-7-15-16-8-19)4-11(12)18-17-9(5-13)6-14/h2-4,7-8,18H,1H3
InChIKeyFHJJTAGMPJJLKZ-UHFFFAOYSA-N
XLogP1.09
TPSA111.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.09
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

3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide
CID 169341777
2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile
CID 169338596
2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile
CID 169338095
2-[(4-bromo-2-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341937
2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340815
2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile
CID 169340013
2-[(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile
CID 169340787
2-[(2-iodo-4-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337862
2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169338208
2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341784
2-[[2-methyl-5-(1,2,4-triazol-4-yl)anilino]methylidene]propanedinitrile
CID 168542260
2-[[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169337917

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile (CID 169340237) is 2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile is COc1ccc(-n2cnnc2)cc1NN=C(C#N)C#N.
What is the InChIKey of 2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is FHJJTAGMPJJLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N7O/c1-20-12-3-2-10(19-7-15-16-8-19)4-11(12)18-17-9(5-13)6-14/h2-4,7-8,18H,1H3.
What are the key properties of 2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 267.25 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).