2,3-dichloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine

C8H9Cl2N3 — CID 163954693

IUPAC2,3-dichloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILESCN(C)C1=C(Cl)C(Cl)C(=[N+]=[N-])C=C1
InChIInChI=1S/C8H9Cl2N3/c1-13(2)6-4-3-5(12-11)7(9)8(6)10/h3-4,7H,1-2H3
InChIKeySCIONZRNZDHEGW-UHFFFAOYSA-N
MW218.09 g/mol
LogP1.85
Rot. Bonds1

About 2,3-dichloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine

2,3-dichloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 163954693) has the molecular formula C8H9Cl2N3 and a molecular weight of 218.09 g/mol. Its IUPAC name is 2,3-dichloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2,3-dichloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID163954693
Molecular FormulaC8H9Cl2N3
Molecular Weight218.09 g/mol
Exact Mass217.02
IUPAC Name2,3-dichloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILESCN(C)C1=C(Cl)C(Cl)C(=[N+]=[N-])C=C1
InChIInChI=1S/C8H9Cl2N3/c1-13(2)6-4-3-5(12-11)7(9)8(6)10/h3-4,7H,1-2H3
InChIKeySCIONZRNZDHEGW-UHFFFAOYSA-N
XLogP1.85
TPSA39.64 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 2,3-dichloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2,3-dichloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine (CID 163954693) is 2,3-dichloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2,3-dichloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2,3-dichloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine is CN(C)C1=C(Cl)C(Cl)C(=[N+]=[N-])C=C1.
What is the InChIKey of 2,3-dichloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is SCIONZRNZDHEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3/c1-13(2)6-4-3-5(12-11)7(9)8(6)10/h3-4,7H,1-2H3.
What are the key properties of 2,3-dichloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine?
2,3-dichloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 218.09 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 163954693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).