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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Related Compounds

2,4,6-Triethyltriazine
CID 13889
2,4-Dimethoxy-6-prop-2-enyl-1,3,5-triazine
CID 86053137
1,3,5-Triazine-2,4-diamine, 6-(3-buten-1-yl)-
CID 85123
6-(4-Pentenyl)-1,3,5-triazine-2,4-diamine
CID 89613
2,4,6-Tris(1,1-difluoroprop-2-enyl)-1,3,5-triazine
CID 23226946
2,4,6-Tris(1,1-difluorobut-3-enyl)-1,3,5-triazine
CID 23226951
6-(1-Fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 69192885
6-(3-Fluoroprop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 69192892
2,4-dimethyl-6-[(E)-prop-1-enyl]-1,3,5-triazine
CID 15734241
2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine
CID 135057009
2-[(E)-prop-1-enyl]-4,6-bis(trideuteriomethyl)-1,3,5-triazine
CID 10953753
2-[(E)-1-deuterioprop-1-enyl]-4,6-bis(trideuteriomethyl)-1,3,5-triazine
CID 11805010

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).