2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine

C8H11N3 — CID 122595292

IUPAC2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine
SMILESC=CCc1nc(C)nc(C)n1
InChIInChI=1S/C8H11N3/c1-4-5-8-10-6(2)9-7(3)11-8/h4H,1,5H2,2-3H3
InChIKeyQDUSPAJZAHMNLQ-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.22
Rot. Bonds2

About 2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine

2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine (PubChem CID 122595292) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine
PubChem CID122595292
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine
SMILESC=CCc1nc(C)nc(C)n1
InChIInChI=1S/C8H11N3/c1-4-5-8-10-6(2)9-7(3)11-8/h4H,1,5H2,2-3H3
InChIKeyQDUSPAJZAHMNLQ-UHFFFAOYSA-N
XLogP1.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.22
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-dimethyl-6-prop-2-enyl-1,3,5-triazine?
The IUPAC name of 2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine (CID 122595292) is 2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine?
The canonical SMILES for 2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine is C=CCc1nc(C)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine?
The InChIKey is QDUSPAJZAHMNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-4-5-8-10-6(2)9-7(3)11-8/h4H,1,5H2,2-3H3.
What are the key properties of 2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine?
2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine has a molecular weight of 149.20 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine is sourced from PubChem (CID 122595292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).