2-(1,3,5-triazin-2-yl)ethyl acetate

C7H9N3O2 — CID 154200612

IUPAC2-(1,3,5-triazin-2-yl)ethyl acetate
SMILESCC(=O)OCCc1ncncn1
InChIInChI=1S/C7H9N3O2/c1-6(11)12-3-2-7-9-4-8-5-10-7/h4-5H,2-3H2,1H3
InChIKeyRKMGOKCBMJFXFC-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.02
Rot. Bonds3

About 2-(1,3,5-triazin-2-yl)ethyl acetate

2-(1,3,5-triazin-2-yl)ethyl acetate (PubChem CID 154200612) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-(1,3,5-triazin-2-yl)ethyl acetate.

Molecular Properties

Compound Name2-(1,3,5-triazin-2-yl)ethyl acetate
PubChem CID154200612
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2-(1,3,5-triazin-2-yl)ethyl acetate
SMILESCC(=O)OCCc1ncncn1
InChIInChI=1S/C7H9N3O2/c1-6(11)12-3-2-7-9-4-8-5-10-7/h4-5H,2-3H2,1H3
InChIKeyRKMGOKCBMJFXFC-UHFFFAOYSA-N
XLogP-0.02
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-triazin-2-yl)ethyl acetate?
The IUPAC name of 2-(1,3,5-triazin-2-yl)ethyl acetate (CID 154200612) is 2-(1,3,5-triazin-2-yl)ethyl acetate.
What is the SMILES notation for 2-(1,3,5-triazin-2-yl)ethyl acetate?
The canonical SMILES for 2-(1,3,5-triazin-2-yl)ethyl acetate is CC(=O)OCCc1ncncn1.
What is the InChIKey of 2-(1,3,5-triazin-2-yl)ethyl acetate?
The InChIKey is RKMGOKCBMJFXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-6(11)12-3-2-7-9-4-8-5-10-7/h4-5H,2-3H2,1H3.
What are the key properties of 2-(1,3,5-triazin-2-yl)ethyl acetate?
2-(1,3,5-triazin-2-yl)ethyl acetate has a molecular weight of 167.17 g/mol, XLogP of -0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-triazin-2-yl)ethyl acetate is sourced from PubChem (CID 154200612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).