6-diazocyclohexa-2,4-diene-1,2-diamine

C6H8N4 — CID 87243053

IUPAC6-diazocyclohexa-2,4-diene-1,2-diamine
SMILES[N-]=[N+]=C1C=CC=C(N)C1N
InChIInChI=1S/C6H8N4/c7-4-2-1-3-5(10-9)6(4)8/h1-3,6H,7-8H2
InChIKeyVQLZOGWNQQEFHR-UHFFFAOYSA-N
MW136.16 g/mol
LogP-0.60
Rot. Bonds

About 6-diazocyclohexa-2,4-diene-1,2-diamine

6-diazocyclohexa-2,4-diene-1,2-diamine (PubChem CID 87243053) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 6-diazocyclohexa-2,4-diene-1,2-diamine.

Molecular Properties

Compound Name6-diazocyclohexa-2,4-diene-1,2-diamine
PubChem CID87243053
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name6-diazocyclohexa-2,4-diene-1,2-diamine
SMILES[N-]=[N+]=C1C=CC=C(N)C1N
InChIInChI=1S/C6H8N4/c7-4-2-1-3-5(10-9)6(4)8/h1-3,6H,7-8H2
InChIKeyVQLZOGWNQQEFHR-UHFFFAOYSA-N
XLogP-0.60
TPSA88.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-diazocyclohexa-2,4-diene-1,2-diamine?
The IUPAC name of 6-diazocyclohexa-2,4-diene-1,2-diamine (CID 87243053) is 6-diazocyclohexa-2,4-diene-1,2-diamine.
What is the SMILES notation for 6-diazocyclohexa-2,4-diene-1,2-diamine?
The canonical SMILES for 6-diazocyclohexa-2,4-diene-1,2-diamine is [N-]=[N+]=C1C=CC=C(N)C1N.
What is the InChIKey of 6-diazocyclohexa-2,4-diene-1,2-diamine?
The InChIKey is VQLZOGWNQQEFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c7-4-2-1-3-5(10-9)6(4)8/h1-3,6H,7-8H2.
What are the key properties of 6-diazocyclohexa-2,4-diene-1,2-diamine?
6-diazocyclohexa-2,4-diene-1,2-diamine has a molecular weight of 136.16 g/mol, XLogP of -0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazocyclohexa-2,4-diene-1,2-diamine is sourced from PubChem (CID 87243053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).