(NE)-N-(6-diazocyclohexa-2,4-dien-1-ylidene)nitramide

C6H4N4O2 — CID 134989678

IUPAC(NE)-N-(6-diazocyclohexa-2,4-dien-1-ylidene)nitramide
SMILES[N-]=[N+]=C1C=CC=C/C1=N\[N+](=O)[O-]
InChIInChI=1S/C6H4N4O2/c7-8-5-3-1-2-4-6(5)9-10(11)12/h1-4H/b9-6+
InChIKeyHARCDFRDEUREIM-RMKNXTFCSA-N
MW164.12 g/mol
LogP0.42
Rot. Bonds1

About (NE)-N-(6-diazocyclohexa-2,4-dien-1-ylidene)nitramide

(NE)-N-(6-diazocyclohexa-2,4-dien-1-ylidene)nitramide (PubChem CID 134989678) has the molecular formula C6H4N4O2 and a molecular weight of 164.12 g/mol. Its IUPAC name is (NE)-N-(6-diazocyclohexa-2,4-dien-1-ylidene)nitramide.

Molecular Properties

Compound Name(NE)-N-(6-diazocyclohexa-2,4-dien-1-ylidene)nitramide
PubChem CID134989678
Molecular FormulaC6H4N4O2
Molecular Weight164.12 g/mol
Exact Mass164.03
IUPAC Name(NE)-N-(6-diazocyclohexa-2,4-dien-1-ylidene)nitramide
SMILES[N-]=[N+]=C1C=CC=C/C1=N\[N+](=O)[O-]
InChIInChI=1S/C6H4N4O2/c7-8-5-3-1-2-4-6(5)9-10(11)12/h1-4H/b9-6+
InChIKeyHARCDFRDEUREIM-RMKNXTFCSA-N
XLogP0.42
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(6-diazocyclohexa-2,4-dien-1-yl)nitramide
CID 154244873
N-(6-oxocyclohexa-2,4-dien-1-yl)nitramide
CID 70139502
N-(1,1,3,3-tetramethylinden-2-ylidene)nitramide
CID 13272691
(NE)-N-(1-amino-4-methyltetrazol-5-ylidene)nitramide
CID 172942629
1-azido-4-methoxy-2,3-dinitrobenzene
CID 150548251
(NE)-N-ethylidenenitramide
CID 144965616
1-azido-4-tert-butyl-2-nitrobenzene
CID 151434378
5-diazocyclohexa-1,3-diene;formohydrazide
CID 158790941
(2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide
CID 135804934
N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide
CID 152748473
N-acetyl-N-[acetyl(nitro)amino]nitramide
CID 14897440
2-azido-5-nitropyridin-1-ium
CID 23279414

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(6-diazocyclohexa-2,4-dien-1-ylidene)nitramide?
The IUPAC name of (NE)-N-(6-diazocyclohexa-2,4-dien-1-ylidene)nitramide (CID 134989678) is (NE)-N-(6-diazocyclohexa-2,4-dien-1-ylidene)nitramide.
What is the SMILES notation for (NE)-N-(6-diazocyclohexa-2,4-dien-1-ylidene)nitramide?
The canonical SMILES for (NE)-N-(6-diazocyclohexa-2,4-dien-1-ylidene)nitramide is [N-]=[N+]=C1C=CC=C/C1=N\[N+](=O)[O-].
What is the InChIKey of (NE)-N-(6-diazocyclohexa-2,4-dien-1-ylidene)nitramide?
The InChIKey is HARCDFRDEUREIM-RMKNXTFCSA-N. The full InChI is InChI=1S/C6H4N4O2/c7-8-5-3-1-2-4-6(5)9-10(11)12/h1-4H/b9-6+.
What are the key properties of (NE)-N-(6-diazocyclohexa-2,4-dien-1-ylidene)nitramide?
(NE)-N-(6-diazocyclohexa-2,4-dien-1-ylidene)nitramide has a molecular weight of 164.12 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6-diazocyclohexa-2,4-dien-1-ylidene)nitramide is sourced from PubChem (CID 134989678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).