1,3,5-triazin-2-yl acetate

C5H5N3O2 — CID 18676248

IUPAC1,3,5-triazin-2-yl acetate
SMILESCC(=O)Oc1ncncn1
InChIInChI=1S/C5H5N3O2/c1-4(9)10-5-7-2-6-3-8-5/h2-3H,1H3
InChIKeyBPBWYSXLJNQFHY-UHFFFAOYSA-N
MW139.11 g/mol
LogP-0.20
Rot. Bonds1

About 1,3,5-triazin-2-yl acetate

1,3,5-triazin-2-yl acetate (PubChem CID 18676248) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is 1,3,5-triazin-2-yl acetate.

Molecular Properties

Compound Name1,3,5-triazin-2-yl acetate
PubChem CID18676248
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC Name1,3,5-triazin-2-yl acetate
SMILESCC(=O)Oc1ncncn1
InChIInChI=1S/C5H5N3O2/c1-4(9)10-5-7-2-6-3-8-5/h2-3H,1H3
InChIKeyBPBWYSXLJNQFHY-UHFFFAOYSA-N
XLogP-0.20
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazin-2-yl 2,2,2-trifluoroacetate
CID 129697213
Acetic acid;1,3,5-triazine
CID 21844786
1-Methyl-1,3,5-triazin-1-ium acetate
CID 22998712
(4-Chloro-1,3,5-triazin-2-yl) propanoate
CID 141163855
Acetic acid;1,3,5-triazine
CID 160414656
Propanoic acid;1,3,5-triazine
CID 163846702
Acetic acid;1,3,5-triazin-2-amine
CID 174479402
Copper;1,3,5-triazin-2-yl propanoate
CID 174784451
1,3,5-Triazin-2-yl 2-methylpropanoate
CID 175118874
1,3,5-Triazin-2-yl butanoate
CID 175119262
1,3,5-Triazin-2-yl 2-chloroacetate
CID 175418847
1,3,5-Triazin-2-yl propanoate
CID 153804795

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazin-2-yl acetate?
The IUPAC name of 1,3,5-triazin-2-yl acetate (CID 18676248) is 1,3,5-triazin-2-yl acetate.
What is the SMILES notation for 1,3,5-triazin-2-yl acetate?
The canonical SMILES for 1,3,5-triazin-2-yl acetate is CC(=O)Oc1ncncn1.
What is the InChIKey of 1,3,5-triazin-2-yl acetate?
The InChIKey is BPBWYSXLJNQFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2/c1-4(9)10-5-7-2-6-3-8-5/h2-3H,1H3.
What are the key properties of 1,3,5-triazin-2-yl acetate?
1,3,5-triazin-2-yl acetate has a molecular weight of 139.11 g/mol, XLogP of -0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazin-2-yl acetate is sourced from PubChem (CID 18676248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).