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

C9H11N3 — CID 69459517

IUPAC2,4-bis(prop-2-enyl)-1,3,5-triazine
SMILESC=CCc1ncnc(CC=C)n1
InChIInChI=1S/C9H11N3/c1-3-5-8-10-7-11-9(12-8)6-4-2/h3-4,7H,1-2,5-6H2
InChIKeyOYRYSMGJPIWCDH-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.33
Rot. Bonds4

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

2,4-bis(prop-2-enyl)-1,3,5-triazine (PubChem CID 69459517) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2,4-bis(prop-2-enyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(prop-2-enyl)-1,3,5-triazine
PubChem CID69459517
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2,4-bis(prop-2-enyl)-1,3,5-triazine
SMILESC=CCc1ncnc(CC=C)n1
InChIInChI=1S/C9H11N3/c1-3-5-8-10-7-11-9(12-8)6-4-2/h3-4,7H,1-2,5-6H2
InChIKeyOYRYSMGJPIWCDH-UHFFFAOYSA-N
XLogP1.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.33
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(prop-2-enyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(prop-2-enyl)-1,3,5-triazine (CID 69459517) is 2,4-bis(prop-2-enyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(prop-2-enyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(prop-2-enyl)-1,3,5-triazine is C=CCc1ncnc(CC=C)n1.
What is the InChIKey of 2,4-bis(prop-2-enyl)-1,3,5-triazine?
The InChIKey is OYRYSMGJPIWCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-3-5-8-10-7-11-9(12-8)6-4-2/h3-4,7H,1-2,5-6H2.
What are the key properties of 2,4-bis(prop-2-enyl)-1,3,5-triazine?
2,4-bis(prop-2-enyl)-1,3,5-triazine has a molecular weight of 161.21 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(prop-2-enyl)-1,3,5-triazine is sourced from PubChem (CID 69459517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).