2-chloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine

C8H10ClN3 — CID 154101955

IUPAC2-chloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILESCN(C)C1=C(Cl)CC(=[N+]=[N-])C=C1
InChIInChI=1S/C8H10ClN3/c1-12(2)8-4-3-6(11-10)5-7(8)9/h3-4H,5H2,1-2H3
InChIKeyUCNNNOGCZKTRQD-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.63
Rot. Bonds1

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

2-chloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 154101955) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-chloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-chloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID154101955
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name2-chloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILESCN(C)C1=C(Cl)CC(=[N+]=[N-])C=C1
InChIInChI=1S/C8H10ClN3/c1-12(2)8-4-3-6(11-10)5-7(8)9/h3-4H,5H2,1-2H3
InChIKeyUCNNNOGCZKTRQD-UHFFFAOYSA-N
XLogP1.63
TPSA39.64 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-chloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-chloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine (CID 154101955) is 2-chloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-chloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-chloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine is CN(C)C1=C(Cl)CC(=[N+]=[N-])C=C1.
What is the InChIKey of 2-chloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is UCNNNOGCZKTRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-12(2)8-4-3-6(11-10)5-7(8)9/h3-4H,5H2,1-2H3.
What are the key properties of 2-chloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine?
2-chloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 183.64 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 154101955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).