cyclohexa-3,5-diene-1,1,2-triamine

C6H11N3 — CID 70527256

IUPACcyclohexa-3,5-diene-1,1,2-triamine
SMILESNC1C=CC=CC1(N)N
InChIInChI=1S/C6H11N3/c7-5-3-1-2-4-6(5,8)9/h1-5H,7-9H2
InChIKeyVYRSENJTOJNBJV-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.95
Rot. Bonds

About cyclohexa-3,5-diene-1,1,2-triamine

cyclohexa-3,5-diene-1,1,2-triamine (PubChem CID 70527256) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is cyclohexa-3,5-diene-1,1,2-triamine.

Molecular Properties

Compound Namecyclohexa-3,5-diene-1,1,2-triamine
PubChem CID70527256
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Namecyclohexa-3,5-diene-1,1,2-triamine
SMILESNC1C=CC=CC1(N)N
InChIInChI=1S/C6H11N3/c7-5-3-1-2-4-6(5,8)9/h1-5H,7-9H2
InChIKeyVYRSENJTOJNBJV-UHFFFAOYSA-N
XLogP-0.95
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-3,5-diene-1,1,2-triamine?
The IUPAC name of cyclohexa-3,5-diene-1,1,2-triamine (CID 70527256) is cyclohexa-3,5-diene-1,1,2-triamine.
What is the SMILES notation for cyclohexa-3,5-diene-1,1,2-triamine?
The canonical SMILES for cyclohexa-3,5-diene-1,1,2-triamine is NC1C=CC=CC1(N)N.
What is the InChIKey of cyclohexa-3,5-diene-1,1,2-triamine?
The InChIKey is VYRSENJTOJNBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c7-5-3-1-2-4-6(5,8)9/h1-5H,7-9H2.
What are the key properties of cyclohexa-3,5-diene-1,1,2-triamine?
cyclohexa-3,5-diene-1,1,2-triamine has a molecular weight of 125.17 g/mol, XLogP of -0.95, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-3,5-diene-1,1,2-triamine is sourced from PubChem (CID 70527256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).