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

C6H7N3O4 — CID 130246214

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl) formate
SMILESCOc1nc(OC)nc(OC=O)n1
InChIInChI=1S/C6H7N3O4/c1-11-4-7-5(12-2)9-6(8-4)13-3-10/h3H,1-2H3
InChIKeyUERNAMVSDYJCPR-UHFFFAOYSA-N
MW185.14 g/mol
LogP-0.58
Rot. Bonds4

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

(4,6-dimethoxy-1,3,5-triazin-2-yl) formate (PubChem CID 130246214) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl) formate.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl) formate
PubChem CID130246214
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl) formate
SMILESCOc1nc(OC)nc(OC=O)n1
InChIInChI=1S/C6H7N3O4/c1-11-4-7-5(12-2)9-6(8-4)13-3-10/h3H,1-2H3
InChIKeyUERNAMVSDYJCPR-UHFFFAOYSA-N
XLogP-0.58
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) formate?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) formate (CID 130246214) is (4,6-dimethoxy-1,3,5-triazin-2-yl) formate.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl) formate?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl) formate is COc1nc(OC)nc(OC=O)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl) formate?
The InChIKey is UERNAMVSDYJCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4/c1-11-4-7-5(12-2)9-6(8-4)13-3-10/h3H,1-2H3.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl) formate?
(4,6-dimethoxy-1,3,5-triazin-2-yl) formate has a molecular weight of 185.14 g/mol, XLogP of -0.58, 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) formate is sourced from PubChem (CID 130246214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).