5-diazocyclohexa-1,3-diene;formohydrazide

C7H10N4O — CID 158790941

IUPAC5-diazocyclohexa-1,3-diene;formohydrazide
SMILESNNC=O.[N-]=[N+]=C1C=CC=CC1
InChIInChI=1S/C6H6N2.CH4N2O/c7-8-6-4-2-1-3-5-6;2-3-1-4/h1-4H,5H2;1H,2H2,(H,3,4)
InChIKeyISGQPNNARTUDSX-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.22
Rot. Bonds1

About 5-diazocyclohexa-1,3-diene;formohydrazide

5-diazocyclohexa-1,3-diene;formohydrazide (PubChem CID 158790941) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-diazocyclohexa-1,3-diene;formohydrazide.

Molecular Properties

Compound Name5-diazocyclohexa-1,3-diene;formohydrazide
PubChem CID158790941
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name5-diazocyclohexa-1,3-diene;formohydrazide
SMILESNNC=O.[N-]=[N+]=C1C=CC=CC1
InChIInChI=1S/C6H6N2.CH4N2O/c7-8-6-4-2-1-3-5-6;2-3-1-4/h1-4H,5H2;1H,2H2,(H,3,4)
InChIKeyISGQPNNARTUDSX-UHFFFAOYSA-N
XLogP-0.22
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-diazocyclohexa-1,3-diene;formohydrazide?
The IUPAC name of 5-diazocyclohexa-1,3-diene;formohydrazide (CID 158790941) is 5-diazocyclohexa-1,3-diene;formohydrazide.
What is the SMILES notation for 5-diazocyclohexa-1,3-diene;formohydrazide?
The canonical SMILES for 5-diazocyclohexa-1,3-diene;formohydrazide is NNC=O.[N-]=[N+]=C1C=CC=CC1.
What is the InChIKey of 5-diazocyclohexa-1,3-diene;formohydrazide?
The InChIKey is ISGQPNNARTUDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2.CH4N2O/c7-8-6-4-2-1-3-5-6;2-3-1-4/h1-4H,5H2;1H,2H2,(H,3,4).
What are the key properties of 5-diazocyclohexa-1,3-diene;formohydrazide?
5-diazocyclohexa-1,3-diene;formohydrazide has a molecular weight of 166.18 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diazocyclohexa-1,3-diene;formohydrazide is sourced from PubChem (CID 158790941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).