(4,6-dimethoxy-1,3,5-triazin-2-yl) propanoate

C8H11N3O4 — CID 147472445

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl) propanoate
SMILESCCC(=O)Oc1nc(OC)nc(OC)n1
InChIInChI=1S/C8H11N3O4/c1-4-5(12)15-8-10-6(13-2)9-7(11-8)14-3/h4H2,1-3H3
InChIKeyFCAUSEVVIQHVDM-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.20
Rot. Bonds4

About (4,6-dimethoxy-1,3,5-triazin-2-yl) propanoate

(4,6-dimethoxy-1,3,5-triazin-2-yl) propanoate (PubChem CID 147472445) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl) propanoate.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl) propanoate
PubChem CID147472445
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl) propanoate
SMILESCCC(=O)Oc1nc(OC)nc(OC)n1
InChIInChI=1S/C8H11N3O4/c1-4-5(12)15-8-10-6(13-2)9-7(11-8)14-3/h4H2,1-3H3
InChIKeyFCAUSEVVIQHVDM-UHFFFAOYSA-N
XLogP0.20
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-Dimethoxy-1,3,5-triazin-2-yl 2,2-dimethylpropanoate
CID 14783080
((4,6-Bis(methyl((propionyloxy)methyl)amino)-1,3,5-triazin-2-yl)(methyl)amino)methyl propionate
CID 362184
(4,6-Diacetyloxy-1,3,5-triazin-2-yl) acetate
CID 527095
[4,6-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate
CID 53342810
((4,6-Bis(((acetyloxy)methyl)(methyl)amino)-1,3,5-triazin-2-yl)(methyl)amino)methyl acetate
CID 361182
[4,6-Bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate
CID 11595262
[4,6-Di(propanoyloxy)-1,3,5-triazin-2-yl] propanoate
CID 20363372
Sodium 4,6-diacetyloxy-1,3,5-triazin-2-olate
CID 23718703
(4,6-Dimethoxy-1,3,5-triazin-2-yl) acetate
CID 58220548
(4-Butoxy-6-chloro-1,3,5-triazin-2-yl) propanoate
CID 140972027
(4,6-Dichloro-1,3,5-triazin-2-yl) propanoate
CID 141065562
(4,6-Diethoxy-1,3,5-triazin-2-yl) formate
CID 155415697

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) propanoate?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) propanoate (CID 147472445) is (4,6-dimethoxy-1,3,5-triazin-2-yl) propanoate.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl) propanoate?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl) propanoate is CCC(=O)Oc1nc(OC)nc(OC)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl) propanoate?
The InChIKey is FCAUSEVVIQHVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-4-5(12)15-8-10-6(13-2)9-7(11-8)14-3/h4H2,1-3H3.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl) propanoate?
(4,6-dimethoxy-1,3,5-triazin-2-yl) propanoate has a molecular weight of 213.19 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl) propanoate is sourced from PubChem (CID 147472445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).