6-hydrazinylcyclohexa-2,3,5-trien-1-amine

C6H9N3 — CID 89231931

IUPAC6-hydrazinylcyclohexa-2,3,5-trien-1-amine
SMILESNNC1=CC=C=CC1N
InChIInChI=1S/C6H9N3/c7-5-3-1-2-4-6(5)9-8/h2-5,9H,7-8H2
InChIKeyWLQSQQDMACOZPV-UHFFFAOYSA-N
MW123.16 g/mol
LogP-0.61
Rot. Bonds1

About 6-hydrazinylcyclohexa-2,3,5-trien-1-amine

6-hydrazinylcyclohexa-2,3,5-trien-1-amine (PubChem CID 89231931) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 6-hydrazinylcyclohexa-2,3,5-trien-1-amine.

Molecular Properties

Compound Name6-hydrazinylcyclohexa-2,3,5-trien-1-amine
PubChem CID89231931
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name6-hydrazinylcyclohexa-2,3,5-trien-1-amine
SMILESNNC1=CC=C=CC1N
InChIInChI=1S/C6H9N3/c7-5-3-1-2-4-6(5)9-8/h2-5,9H,7-8H2
InChIKeyWLQSQQDMACOZPV-UHFFFAOYSA-N
XLogP-0.61
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinylcyclohexa-2,3,5-trien-1-amine?
The IUPAC name of 6-hydrazinylcyclohexa-2,3,5-trien-1-amine (CID 89231931) is 6-hydrazinylcyclohexa-2,3,5-trien-1-amine.
What is the SMILES notation for 6-hydrazinylcyclohexa-2,3,5-trien-1-amine?
The canonical SMILES for 6-hydrazinylcyclohexa-2,3,5-trien-1-amine is NNC1=CC=C=CC1N.
What is the InChIKey of 6-hydrazinylcyclohexa-2,3,5-trien-1-amine?
The InChIKey is WLQSQQDMACOZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c7-5-3-1-2-4-6(5)9-8/h2-5,9H,7-8H2.
What are the key properties of 6-hydrazinylcyclohexa-2,3,5-trien-1-amine?
6-hydrazinylcyclohexa-2,3,5-trien-1-amine has a molecular weight of 123.16 g/mol, XLogP of -0.61, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinylcyclohexa-2,3,5-trien-1-amine is sourced from PubChem (CID 89231931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).