6-diazocyclohexa-1,3-diene-1,2-diamine

C6H8N4 — CID 89251664

IUPAC6-diazocyclohexa-1,3-diene-1,2-diamine
SMILES[N-]=[N+]=C1CC=CC(N)=C1N
InChIInChI=1S/C6H8N4/c7-4-2-1-3-5(10-9)6(4)8/h1-2H,3,7-8H2
InChIKeyCONYNKKCTGYCTP-UHFFFAOYSA-N
MW136.16 g/mol
LogP-0.25
Rot. Bonds

About 6-diazocyclohexa-1,3-diene-1,2-diamine

6-diazocyclohexa-1,3-diene-1,2-diamine (PubChem CID 89251664) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 6-diazocyclohexa-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name6-diazocyclohexa-1,3-diene-1,2-diamine
PubChem CID89251664
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name6-diazocyclohexa-1,3-diene-1,2-diamine
SMILES[N-]=[N+]=C1CC=CC(N)=C1N
InChIInChI=1S/C6H8N4/c7-4-2-1-3-5(10-9)6(4)8/h1-2H,3,7-8H2
InChIKeyCONYNKKCTGYCTP-UHFFFAOYSA-N
XLogP-0.25
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 ≤ 5-0.25
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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Related Compounds

p-Aminodiazo-benzene
CID 21705993
4-Iminocyclohexa-1,5-dien-1-amine
CID 18740919
4-diazo-N-(4-diazocyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-amine
CID 19777755
6-Diazocyclohexa-1,3-dien-1-amine
CID 21496814
3,4-Diiminocyclohexa-1,5-dien-1-amine
CID 21499769
6-Iminocyclohexa-1,3-dien-1-amine
CID 67326477
Benzotriazol-4-imine
CID 69458728
6-Diazocyclohexa-2,4-diene-1,2-diamine
CID 87243053
4-Diazo-3-methylcyclohexa-1,5-dien-1-amine
CID 87823411
N-chloro-4-diazocyclohexa-1,5-dien-1-amine
CID 88805100
4-Diazocyclohexa-1,5-dien-1-amine;hydrochloride
CID 88805102
Cyclohexa-1,5-dien-1-amine;cyclohexa-3,5-diene-1,2-diimine
CID 143547687

Frequently Asked Questions

What is the IUPAC name of 6-diazocyclohexa-1,3-diene-1,2-diamine?
The IUPAC name of 6-diazocyclohexa-1,3-diene-1,2-diamine (CID 89251664) is 6-diazocyclohexa-1,3-diene-1,2-diamine.
What is the SMILES notation for 6-diazocyclohexa-1,3-diene-1,2-diamine?
The canonical SMILES for 6-diazocyclohexa-1,3-diene-1,2-diamine is [N-]=[N+]=C1CC=CC(N)=C1N.
What is the InChIKey of 6-diazocyclohexa-1,3-diene-1,2-diamine?
The InChIKey is CONYNKKCTGYCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c7-4-2-1-3-5(10-9)6(4)8/h1-2H,3,7-8H2.
What are the key properties of 6-diazocyclohexa-1,3-diene-1,2-diamine?
6-diazocyclohexa-1,3-diene-1,2-diamine has a molecular weight of 136.16 g/mol, XLogP of -0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazocyclohexa-1,3-diene-1,2-diamine is sourced from PubChem (CID 89251664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).