2,4-dimethoxy-6-[(Z)-prop-1-enyl]-1,3,5-triazine

C8H11N3O2 — CID 102586827

IUPAC2,4-dimethoxy-6-[(Z)-prop-1-enyl]-1,3,5-triazine
SMILESC/C=C\c1nc(OC)nc(OC)n1
InChIInChI=1S/C8H11N3O2/c1-4-5-6-9-7(12-2)11-8(10-6)13-3/h4-5H,1-3H3/b5-4-
InChIKeyQYQMXNMURDFKSI-PLNGDYQASA-N
MW181.19 g/mol
LogP0.92
Rot. Bonds3

About 2,4-dimethoxy-6-[(Z)-prop-1-enyl]-1,3,5-triazine

2,4-dimethoxy-6-[(Z)-prop-1-enyl]-1,3,5-triazine (PubChem CID 102586827) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2,4-dimethoxy-6-[(Z)-prop-1-enyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-[(Z)-prop-1-enyl]-1,3,5-triazine
PubChem CID102586827
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2,4-dimethoxy-6-[(Z)-prop-1-enyl]-1,3,5-triazine
SMILESC/C=C\c1nc(OC)nc(OC)n1
InChIInChI=1S/C8H11N3O2/c1-4-5-6-9-7(12-2)11-8(10-6)13-3/h4-5H,1-3H3/b5-4-
InChIKeyQYQMXNMURDFKSI-PLNGDYQASA-N
XLogP0.92
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-[(Z)-prop-1-enyl]-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-[(Z)-prop-1-enyl]-1,3,5-triazine (CID 102586827) is 2,4-dimethoxy-6-[(Z)-prop-1-enyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-[(Z)-prop-1-enyl]-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-[(Z)-prop-1-enyl]-1,3,5-triazine is C/C=C\c1nc(OC)nc(OC)n1.
What is the InChIKey of 2,4-dimethoxy-6-[(Z)-prop-1-enyl]-1,3,5-triazine?
The InChIKey is QYQMXNMURDFKSI-PLNGDYQASA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-5-6-9-7(12-2)11-8(10-6)13-3/h4-5H,1-3H3/b5-4-.
What are the key properties of 2,4-dimethoxy-6-[(Z)-prop-1-enyl]-1,3,5-triazine?
2,4-dimethoxy-6-[(Z)-prop-1-enyl]-1,3,5-triazine has a molecular weight of 181.19 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-[(Z)-prop-1-enyl]-1,3,5-triazine is sourced from PubChem (CID 102586827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).