6-diazo-N-phenylcyclohexa-2,4-dien-1-amine

C12H11N3 — CID 87115315

IUPAC6-diazo-N-phenylcyclohexa-2,4-dien-1-amine
SMILES[N-]=[N+]=C1C=CC=CC1Nc1ccccc1
InChIInChI=1S/C12H11N3/c13-15-12-9-5-4-8-11(12)14-10-6-2-1-3-7-10/h1-9,11,14H
InChIKeyZRDSGWXWQNSQAN-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.26
Rot. Bonds2

About 6-diazo-N-phenylcyclohexa-2,4-dien-1-amine

6-diazo-N-phenylcyclohexa-2,4-dien-1-amine (PubChem CID 87115315) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-diazo-N-phenylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-diazo-N-phenylcyclohexa-2,4-dien-1-amine
PubChem CID87115315
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name6-diazo-N-phenylcyclohexa-2,4-dien-1-amine
SMILES[N-]=[N+]=C1C=CC=CC1Nc1ccccc1
InChIInChI=1S/C12H11N3/c13-15-12-9-5-4-8-11(12)14-10-6-2-1-3-7-10/h1-9,11,14H
InChIKeyZRDSGWXWQNSQAN-UHFFFAOYSA-N
XLogP2.26
TPSA48.43 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
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 6-diazo-N-phenylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-diazo-N-phenylcyclohexa-2,4-dien-1-amine (CID 87115315) is 6-diazo-N-phenylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-diazo-N-phenylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-diazo-N-phenylcyclohexa-2,4-dien-1-amine is [N-]=[N+]=C1C=CC=CC1Nc1ccccc1.
What is the InChIKey of 6-diazo-N-phenylcyclohexa-2,4-dien-1-amine?
The InChIKey is ZRDSGWXWQNSQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c13-15-12-9-5-4-8-11(12)14-10-6-2-1-3-7-10/h1-9,11,14H.
What are the key properties of 6-diazo-N-phenylcyclohexa-2,4-dien-1-amine?
6-diazo-N-phenylcyclohexa-2,4-dien-1-amine has a molecular weight of 197.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazo-N-phenylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 87115315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).