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

C10H13N3O3 — CID 63355125

IUPAC1-cyclopropyl-2-(4,6-dimethoxy-1,3,5-triazin-2-yl)ethanone
SMILESCOc1nc(CC(=O)C2CC2)nc(OC)n1
InChIInChI=1S/C10H13N3O3/c1-15-9-11-8(12-10(13-9)16-2)5-7(14)6-3-4-6/h6H,3-5H2,1-2H3
InChIKeyBQXDBFVUHLGDLP-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.41
Rot. Bonds5

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

1-cyclopropyl-2-(4,6-dimethoxy-1,3,5-triazin-2-yl)ethanone (PubChem CID 63355125) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4,6-dimethoxy-1,3,5-triazin-2-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(4,6-dimethoxy-1,3,5-triazin-2-yl)ethanone
PubChem CID63355125
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-cyclopropyl-2-(4,6-dimethoxy-1,3,5-triazin-2-yl)ethanone
SMILESCOc1nc(CC(=O)C2CC2)nc(OC)n1
InChIInChI=1S/C10H13N3O3/c1-15-9-11-8(12-10(13-9)16-2)5-7(14)6-3-4-6/h6H,3-5H2,1-2H3
InChIKeyBQXDBFVUHLGDLP-UHFFFAOYSA-N
XLogP0.41
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4,6-dimethoxy-1,3,5-triazin-2-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(4,6-dimethoxy-1,3,5-triazin-2-yl)ethanone (CID 63355125) is 1-cyclopropyl-2-(4,6-dimethoxy-1,3,5-triazin-2-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(4,6-dimethoxy-1,3,5-triazin-2-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(4,6-dimethoxy-1,3,5-triazin-2-yl)ethanone is COc1nc(CC(=O)C2CC2)nc(OC)n1.
What is the InChIKey of 1-cyclopropyl-2-(4,6-dimethoxy-1,3,5-triazin-2-yl)ethanone?
The InChIKey is BQXDBFVUHLGDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-15-9-11-8(12-10(13-9)16-2)5-7(14)6-3-4-6/h6H,3-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(4,6-dimethoxy-1,3,5-triazin-2-yl)ethanone?
1-cyclopropyl-2-(4,6-dimethoxy-1,3,5-triazin-2-yl)ethanone has a molecular weight of 223.23 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4,6-dimethoxy-1,3,5-triazin-2-yl)ethanone is sourced from PubChem (CID 63355125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).