2,4-bis(3-methylbut-2-enyl)-1,3,5-triazine

C13H19N3 — CID 122657764

IUPAC2,4-bis(3-methylbut-2-enyl)-1,3,5-triazine
SMILESCC(C)=CCc1ncnc(CC=C(C)C)n1
InChIInChI=1S/C13H19N3/c1-10(2)5-7-12-14-9-15-13(16-12)8-6-11(3)4/h5-6,9H,7-8H2,1-4H3
InChIKeyJQVFCLBOLOYONB-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.89
Rot. Bonds4

About 2,4-bis(3-methylbut-2-enyl)-1,3,5-triazine

2,4-bis(3-methylbut-2-enyl)-1,3,5-triazine (PubChem CID 122657764) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2,4-bis(3-methylbut-2-enyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3-methylbut-2-enyl)-1,3,5-triazine
PubChem CID122657764
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2,4-bis(3-methylbut-2-enyl)-1,3,5-triazine
SMILESCC(C)=CCc1ncnc(CC=C(C)C)n1
InChIInChI=1S/C13H19N3/c1-10(2)5-7-12-14-9-15-13(16-12)8-6-11(3)4/h5-6,9H,7-8H2,1-4H3
InChIKeyJQVFCLBOLOYONB-UHFFFAOYSA-N
XLogP2.89
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,4-bis(3-methylbut-2-enyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(3-methylbut-2-enyl)-1,3,5-triazine (CID 122657764) is 2,4-bis(3-methylbut-2-enyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3-methylbut-2-enyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3-methylbut-2-enyl)-1,3,5-triazine is CC(C)=CCc1ncnc(CC=C(C)C)n1.
What is the InChIKey of 2,4-bis(3-methylbut-2-enyl)-1,3,5-triazine?
The InChIKey is JQVFCLBOLOYONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10(2)5-7-12-14-9-15-13(16-12)8-6-11(3)4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 2,4-bis(3-methylbut-2-enyl)-1,3,5-triazine?
2,4-bis(3-methylbut-2-enyl)-1,3,5-triazine has a molecular weight of 217.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-methylbut-2-enyl)-1,3,5-triazine is sourced from PubChem (CID 122657764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).