4-hydrazinyl-3,5-dinitrobenzonitrile

C7H5N5O4 — CID 19774041

IUPAC4-hydrazinyl-3,5-dinitrobenzonitrile
SMILESN#Cc1cc([N+](=O)[O-])c(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C7H5N5O4/c8-3-4-1-5(11(13)14)7(10-9)6(2-4)12(15)16/h1-2,10H,9H2
InChIKeyTUVVCVJAYMTAAJ-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.66
Rot. Bonds3

About 4-hydrazinyl-3,5-dinitrobenzonitrile

4-hydrazinyl-3,5-dinitrobenzonitrile (PubChem CID 19774041) has the molecular formula C7H5N5O4 and a molecular weight of 223.15 g/mol. Its IUPAC name is 4-hydrazinyl-3,5-dinitrobenzonitrile.

Molecular Properties

Compound Name4-hydrazinyl-3,5-dinitrobenzonitrile
PubChem CID19774041
Molecular FormulaC7H5N5O4
Molecular Weight223.15 g/mol
Exact Mass223.03
IUPAC Name4-hydrazinyl-3,5-dinitrobenzonitrile
SMILESN#Cc1cc([N+](=O)[O-])c(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C7H5N5O4/c8-3-4-1-5(11(13)14)7(10-9)6(2-4)12(15)16/h1-2,10H,9H2
InChIKeyTUVVCVJAYMTAAJ-UHFFFAOYSA-N
XLogP0.66
TPSA148.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-3,5-dinitrobenzonitrile?
The IUPAC name of 4-hydrazinyl-3,5-dinitrobenzonitrile (CID 19774041) is 4-hydrazinyl-3,5-dinitrobenzonitrile.
What is the SMILES notation for 4-hydrazinyl-3,5-dinitrobenzonitrile?
The canonical SMILES for 4-hydrazinyl-3,5-dinitrobenzonitrile is N#Cc1cc([N+](=O)[O-])c(NN)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydrazinyl-3,5-dinitrobenzonitrile?
The InChIKey is TUVVCVJAYMTAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O4/c8-3-4-1-5(11(13)14)7(10-9)6(2-4)12(15)16/h1-2,10H,9H2.
What are the key properties of 4-hydrazinyl-3,5-dinitrobenzonitrile?
4-hydrazinyl-3,5-dinitrobenzonitrile has a molecular weight of 223.15 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-3,5-dinitrobenzonitrile is sourced from PubChem (CID 19774041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).