N-(4-cyanoanilino)nitramide

C7H6N4O2 — CID 67895972

IUPACN-(4-cyanoanilino)nitramide
SMILESN#Cc1ccc(NN[N+](=O)[O-])cc1
InChIInChI=1S/C7H6N4O2/c8-5-6-1-3-7(4-2-6)9-10-11(12)13/h1-4,9-10H
InChIKeyFYJVQIZIPKJFQG-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.67
Rot. Bonds3

About N-(4-cyanoanilino)nitramide

N-(4-cyanoanilino)nitramide (PubChem CID 67895972) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is N-(4-cyanoanilino)nitramide.

Molecular Properties

Compound NameN-(4-cyanoanilino)nitramide
PubChem CID67895972
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC NameN-(4-cyanoanilino)nitramide
SMILESN#Cc1ccc(NN[N+](=O)[O-])cc1
InChIInChI=1S/C7H6N4O2/c8-5-6-1-3-7(4-2-6)9-10-11(12)13/h1-4,9-10H
InChIKeyFYJVQIZIPKJFQG-UHFFFAOYSA-N
XLogP0.67
TPSA90.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 N-(4-cyanoanilino)nitramide?
The IUPAC name of N-(4-cyanoanilino)nitramide (CID 67895972) is N-(4-cyanoanilino)nitramide.
What is the SMILES notation for N-(4-cyanoanilino)nitramide?
The canonical SMILES for N-(4-cyanoanilino)nitramide is N#Cc1ccc(NN[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-cyanoanilino)nitramide?
The InChIKey is FYJVQIZIPKJFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c8-5-6-1-3-7(4-2-6)9-10-11(12)13/h1-4,9-10H.
What are the key properties of N-(4-cyanoanilino)nitramide?
N-(4-cyanoanilino)nitramide has a molecular weight of 178.15 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanoanilino)nitramide is sourced from PubChem (CID 67895972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).