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

C8H11N3O2 — CID 86053137

IUPAC2,4-dimethoxy-6-prop-2-enyl-1,3,5-triazine
SMILESC=CCc1nc(OC)nc(OC)n1
InChIInChI=1S/C8H11N3O2/c1-4-5-6-9-7(12-2)11-8(10-6)13-3/h4H,1,5H2,2-3H3
InChIKeyQBBSFGGZHJBBOD-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.62
Rot. Bonds4

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

2,4-dimethoxy-6-prop-2-enyl-1,3,5-triazine (PubChem CID 86053137) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2,4-dimethoxy-6-prop-2-enyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-prop-2-enyl-1,3,5-triazine
PubChem CID86053137
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2,4-dimethoxy-6-prop-2-enyl-1,3,5-triazine
SMILESC=CCc1nc(OC)nc(OC)n1
InChIInChI=1S/C8H11N3O2/c1-4-5-6-9-7(12-2)11-8(10-6)13-3/h4H,1,5H2,2-3H3
InChIKeyQBBSFGGZHJBBOD-UHFFFAOYSA-N
XLogP0.62
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethoxy-6-(2-methylprop-2-enyl)-1,3,5-triazine
CID 86053139
2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine
CID 135057009
2,4-dimethoxy-6-[(E)-prop-1-enyl]-1,3,5-triazine
CID 102586826
2,4-dimethoxy-6-[(Z)-prop-1-enyl]-1,3,5-triazine
CID 102586827
2-[(E)-hex-1-enyl]-4,6-dimethoxy-1,3,5-triazine
CID 102586828
2,4,6-Tris(prop-2-enyl)-1,3,5-triazine
CID 10921567
4-Methoxy-6-prop-2-enyl-1,3,5-triazin-2-amine
CID 70465850
2,4-Dimethoxy-6-propyl-1,3,5-triazine
CID 70473086
2-Chloro-4,6-bis(prop-2-enyl)-1,3,5-triazine
CID 88438994
1,3,5-Trioxido-2,4,6-tris(prop-2-enyl)-1,3,5-triazine-1,3,5-triium
CID 88641251
2-But-3-enyl-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 89277811
2-Ethyl-4,6-dimethyl-1,3,5-triazine;pent-1-ene
CID 91383352

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-prop-2-enyl-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-prop-2-enyl-1,3,5-triazine (CID 86053137) is 2,4-dimethoxy-6-prop-2-enyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-prop-2-enyl-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-prop-2-enyl-1,3,5-triazine is C=CCc1nc(OC)nc(OC)n1.
What is the InChIKey of 2,4-dimethoxy-6-prop-2-enyl-1,3,5-triazine?
The InChIKey is QBBSFGGZHJBBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-5-6-9-7(12-2)11-8(10-6)13-3/h4H,1,5H2,2-3H3.
What are the key properties of 2,4-dimethoxy-6-prop-2-enyl-1,3,5-triazine?
2,4-dimethoxy-6-prop-2-enyl-1,3,5-triazine has a molecular weight of 181.19 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-prop-2-enyl-1,3,5-triazine is sourced from PubChem (CID 86053137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).