5-diazo-1-methylcyclohexa-1,3-diene;hydrochloride

C7H9ClN2 — CID 141328980

IUPAC5-diazo-1-methylcyclohexa-1,3-diene;hydrochloride
SMILESCC1=CC=CC(=[N+]=[N-])C1.Cl
InChIInChI=1S/C7H8N2.ClH/c1-6-3-2-4-7(5-6)9-8;/h2-4H,5H2,1H3;1H
InChIKeyASGOXSYQMAKORH-UHFFFAOYSA-N
MW156.62 g/mol
LogP1.99
Rot. Bonds

About 5-diazo-1-methylcyclohexa-1,3-diene;hydrochloride

5-diazo-1-methylcyclohexa-1,3-diene;hydrochloride (PubChem CID 141328980) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 5-diazo-1-methylcyclohexa-1,3-diene;hydrochloride.

Molecular Properties

Compound Name5-diazo-1-methylcyclohexa-1,3-diene;hydrochloride
PubChem CID141328980
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name5-diazo-1-methylcyclohexa-1,3-diene;hydrochloride
SMILESCC1=CC=CC(=[N+]=[N-])C1.Cl
InChIInChI=1S/C7H8N2.ClH/c1-6-3-2-4-7(5-6)9-8;/h2-4H,5H2,1H3;1H
InChIKeyASGOXSYQMAKORH-UHFFFAOYSA-N
XLogP1.99
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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CID 19787591
N-methoxy-5-methylcyclohexa-2,4-dien-1-imine
CID 173259374
(5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene
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5-diazocyclohexa-1,3-diene;methyl formate
CID 160882104
5-diazocyclohexa-1,3-diene;fluoroarsonic acid
CID 174514810
5-methylcyclohepta-2,4-diene-1-thione
CID 123689242
2,4-dimethyl-3H-azepine
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5-diazocyclohexa-1,3-diene;formohydrazide
CID 158790941
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Frequently Asked Questions

What is the IUPAC name of 5-diazo-1-methylcyclohexa-1,3-diene;hydrochloride?
The IUPAC name of 5-diazo-1-methylcyclohexa-1,3-diene;hydrochloride (CID 141328980) is 5-diazo-1-methylcyclohexa-1,3-diene;hydrochloride.
What is the SMILES notation for 5-diazo-1-methylcyclohexa-1,3-diene;hydrochloride?
The canonical SMILES for 5-diazo-1-methylcyclohexa-1,3-diene;hydrochloride is CC1=CC=CC(=[N+]=[N-])C1.Cl.
What is the InChIKey of 5-diazo-1-methylcyclohexa-1,3-diene;hydrochloride?
The InChIKey is ASGOXSYQMAKORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2.ClH/c1-6-3-2-4-7(5-6)9-8;/h2-4H,5H2,1H3;1H.
What are the key properties of 5-diazo-1-methylcyclohexa-1,3-diene;hydrochloride?
5-diazo-1-methylcyclohexa-1,3-diene;hydrochloride has a molecular weight of 156.62 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diazo-1-methylcyclohexa-1,3-diene;hydrochloride is sourced from PubChem (CID 141328980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).