N'-(1,2,2-tricyanoethenyl)benzohydrazide

C12H7N5O — CID 569500

IUPACN'-(1,2,2-tricyanoethenyl)benzohydrazide
SMILESN#CC(C#N)=C(C#N)NNC(=O)c1ccccc1
InChIInChI=1S/C12H7N5O/c13-6-10(7-14)11(8-15)16-17-12(18)9-4-2-1-3-5-9/h1-5,16H,(H,17,18)
InChIKeyHGKKHBLARUPHCH-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.75
Rot. Bonds3

About N'-(1,2,2-tricyanoethenyl)benzohydrazide

N'-(1,2,2-tricyanoethenyl)benzohydrazide (PubChem CID 569500) has the molecular formula C12H7N5O and a molecular weight of 237.22 g/mol. Its IUPAC name is N'-(1,2,2-tricyanoethenyl)benzohydrazide.

Molecular Properties

Compound NameN'-(1,2,2-tricyanoethenyl)benzohydrazide
PubChem CID569500
Molecular FormulaC12H7N5O
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC NameN'-(1,2,2-tricyanoethenyl)benzohydrazide
SMILESN#CC(C#N)=C(C#N)NNC(=O)c1ccccc1
InChIInChI=1S/C12H7N5O/c13-6-10(7-14)11(8-15)16-17-12(18)9-4-2-1-3-5-9/h1-5,16H,(H,17,18)
InChIKeyHGKKHBLARUPHCH-UHFFFAOYSA-N
XLogP0.75
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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1-N,3-N-diphenyl-5-(1,2,2-tricyanoethenylamino)benzene-1,3-dicarboxamide
CID 168609387
N'-(2-oxo-2-phenylacetyl)benzohydrazide
CID 12792453
N'-(2,2-dimethylbutanoyl)benzohydrazide
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N'-[2-cyano-3-hydroxy-3-(4-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 54750096
N-(1-phenylethyl)-4-(1,2,2-tricyanoethenylamino)benzamide
CID 168607076
N'-oxidobenzohydrazide
CID 174971627
(Z)-3-hydroxy-2-methyl-3-phenylprop-2-enenitrile
CID 102248734
benzamidothiourea
CID 781748
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CID 21231530

Frequently Asked Questions

What is the IUPAC name of N'-(1,2,2-tricyanoethenyl)benzohydrazide?
The IUPAC name of N'-(1,2,2-tricyanoethenyl)benzohydrazide (CID 569500) is N'-(1,2,2-tricyanoethenyl)benzohydrazide.
What is the SMILES notation for N'-(1,2,2-tricyanoethenyl)benzohydrazide?
The canonical SMILES for N'-(1,2,2-tricyanoethenyl)benzohydrazide is N#CC(C#N)=C(C#N)NNC(=O)c1ccccc1.
What is the InChIKey of N'-(1,2,2-tricyanoethenyl)benzohydrazide?
The InChIKey is HGKKHBLARUPHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5O/c13-6-10(7-14)11(8-15)16-17-12(18)9-4-2-1-3-5-9/h1-5,16H,(H,17,18).
What are the key properties of N'-(1,2,2-tricyanoethenyl)benzohydrazide?
N'-(1,2,2-tricyanoethenyl)benzohydrazide has a molecular weight of 237.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2,2-tricyanoethenyl)benzohydrazide is sourced from PubChem (CID 569500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).