2-N,2-N-bis(but-2-enyl)-1,3,5-triazine-2,4,6-triamine

C11H18N6 — CID 154157860

IUPAC2-N,2-N-bis(but-2-enyl)-1,3,5-triazine-2,4,6-triamine
SMILESCC=CCN(CC=CC)c1nc(N)nc(N)n1
InChIInChI=1S/C11H18N6/c1-3-5-7-17(8-6-4-2)11-15-9(12)14-10(13)16-11/h3-6H,7-8H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyQIMLCKJINOLHCJ-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.99
Rot. Bonds5

About 2-N,2-N-bis(but-2-enyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N-bis(but-2-enyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 154157860) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 2-N,2-N-bis(but-2-enyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-bis(but-2-enyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID154157860
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name2-N,2-N-bis(but-2-enyl)-1,3,5-triazine-2,4,6-triamine
SMILESCC=CCN(CC=CC)c1nc(N)nc(N)n1
InChIInChI=1S/C11H18N6/c1-3-5-7-17(8-6-4-2)11-15-9(12)14-10(13)16-11/h3-6H,7-8H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyQIMLCKJINOLHCJ-UHFFFAOYSA-N
XLogP0.99
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(but-2-enyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-bis(but-2-enyl)-1,3,5-triazine-2,4,6-triamine (CID 154157860) is 2-N,2-N-bis(but-2-enyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-bis(but-2-enyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-bis(but-2-enyl)-1,3,5-triazine-2,4,6-triamine is CC=CCN(CC=CC)c1nc(N)nc(N)n1.
What is the InChIKey of 2-N,2-N-bis(but-2-enyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is QIMLCKJINOLHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-3-5-7-17(8-6-4-2)11-15-9(12)14-10(13)16-11/h3-6H,7-8H2,1-2H3,(H4,12,13,14,15,16).
What are the key properties of 2-N,2-N-bis(but-2-enyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-bis(but-2-enyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 234.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(but-2-enyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 154157860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).