4-azido-5-hydrazinylidenecyclohexa-1,3-diene-1-carboxamide

C7H8N6O — CID 174406291

IUPAC4-azido-5-hydrazinylidenecyclohexa-1,3-diene-1-carboxamide
SMILES[N-]=[N+]=NC1=CC=C(C(N)=O)CC1=NN
InChIInChI=1S/C7H8N6O/c8-7(14)4-1-2-5(12-13-10)6(3-4)11-9/h1-2H,3,9H2,(H2,8,14)
InChIKeyMESUBZODXRWJOS-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.31
Rot. Bonds2

About 4-azido-5-hydrazinylidenecyclohexa-1,3-diene-1-carboxamide

4-azido-5-hydrazinylidenecyclohexa-1,3-diene-1-carboxamide (PubChem CID 174406291) has the molecular formula C7H8N6O and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-azido-5-hydrazinylidenecyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-azido-5-hydrazinylidenecyclohexa-1,3-diene-1-carboxamide
PubChem CID174406291
Molecular FormulaC7H8N6O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name4-azido-5-hydrazinylidenecyclohexa-1,3-diene-1-carboxamide
SMILES[N-]=[N+]=NC1=CC=C(C(N)=O)CC1=NN
InChIInChI=1S/C7H8N6O/c8-7(14)4-1-2-5(12-13-10)6(3-4)11-9/h1-2H,3,9H2,(H2,8,14)
InChIKeyMESUBZODXRWJOS-UHFFFAOYSA-N
XLogP0.31
TPSA130.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azido-5-hydrazinylidenecyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-azido-5-hydrazinylidenecyclohexa-1,3-diene-1-carboxamide (CID 174406291) is 4-azido-5-hydrazinylidenecyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-azido-5-hydrazinylidenecyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-azido-5-hydrazinylidenecyclohexa-1,3-diene-1-carboxamide is [N-]=[N+]=NC1=CC=C(C(N)=O)CC1=NN.
What is the InChIKey of 4-azido-5-hydrazinylidenecyclohexa-1,3-diene-1-carboxamide?
The InChIKey is MESUBZODXRWJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O/c8-7(14)4-1-2-5(12-13-10)6(3-4)11-9/h1-2H,3,9H2,(H2,8,14).
What are the key properties of 4-azido-5-hydrazinylidenecyclohexa-1,3-diene-1-carboxamide?
4-azido-5-hydrazinylidenecyclohexa-1,3-diene-1-carboxamide has a molecular weight of 192.18 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-5-hydrazinylidenecyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 174406291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).