cyclohexa-1,5-diene-1,2,4-triamine

C6H11N3 — CID 165106631

IUPACcyclohexa-1,5-diene-1,2,4-triamine
SMILESNC1=C(N)CC(N)C=C1
InChIInChI=1S/C6H11N3/c7-4-1-2-5(8)6(9)3-4/h1-2,4H,3,7-9H2
InChIKeyZGAOYZLFRFVZKF-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.60
Rot. Bonds

About cyclohexa-1,5-diene-1,2,4-triamine

cyclohexa-1,5-diene-1,2,4-triamine (PubChem CID 165106631) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is cyclohexa-1,5-diene-1,2,4-triamine.

Molecular Properties

Compound Namecyclohexa-1,5-diene-1,2,4-triamine
PubChem CID165106631
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Namecyclohexa-1,5-diene-1,2,4-triamine
SMILESNC1=C(N)CC(N)C=C1
InChIInChI=1S/C6H11N3/c7-4-1-2-5(8)6(9)3-4/h1-2,4H,3,7-9H2
InChIKeyZGAOYZLFRFVZKF-UHFFFAOYSA-N
XLogP-0.60
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 ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-diene-1,2,4-triamine?
The IUPAC name of cyclohexa-1,5-diene-1,2,4-triamine (CID 165106631) is cyclohexa-1,5-diene-1,2,4-triamine.
What is the SMILES notation for cyclohexa-1,5-diene-1,2,4-triamine?
The canonical SMILES for cyclohexa-1,5-diene-1,2,4-triamine is NC1=C(N)CC(N)C=C1.
What is the InChIKey of cyclohexa-1,5-diene-1,2,4-triamine?
The InChIKey is ZGAOYZLFRFVZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c7-4-1-2-5(8)6(9)3-4/h1-2,4H,3,7-9H2.
What are the key properties of cyclohexa-1,5-diene-1,2,4-triamine?
cyclohexa-1,5-diene-1,2,4-triamine has a molecular weight of 125.17 g/mol, XLogP of -0.60, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-diene-1,2,4-triamine is sourced from PubChem (CID 165106631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).