2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile

C10H5FN8 — CID 169338208

IUPAC2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C10H5FN8/c11-9-2-1-8(19-6-14-17-18-19)3-10(9)16-15-7(4-12)5-13/h1-3,6,16H
InChIKeyZOKBPXWXUFSRIA-UHFFFAOYSA-N
MW256.20 g/mol
LogP0.62
Rot. Bonds3

About 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile

2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169338208) has the molecular formula C10H5FN8 and a molecular weight of 256.20 g/mol. Its IUPAC name is 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169338208
Molecular FormulaC10H5FN8
Molecular Weight256.20 g/mol
Exact Mass256.06
IUPAC Name2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C10H5FN8/c11-9-2-1-8(19-6-14-17-18-19)3-10(9)16-15-7(4-12)5-13/h1-3,6,16H
InChIKeyZOKBPXWXUFSRIA-UHFFFAOYSA-N
XLogP0.62
TPSA115.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 50.62
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-[[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169337917
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286663
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199600
2-(2-cyanophenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide
CID 55812092
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine
CID 54864011
3-chloro-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63681109
2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934319
2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340237
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide
CID 60556708

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile (CID 169338208) is 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is ZOKBPXWXUFSRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN8/c11-9-2-1-8(19-6-14-17-18-19)3-10(9)16-15-7(4-12)5-13/h1-3,6,16H.
What are the key properties of 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 256.20 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169338208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).