copper;1,3,5-triazin-2-yl propanoate

C6H7CuN3O2 — CID 174784451

IUPACcopper;1,3,5-triazin-2-yl propanoate
SMILESCCC(=O)Oc1ncncn1.[Cu]
InChIInChI=1S/C6H7N3O2.Cu/c1-2-5(10)11-6-8-3-7-4-9-6;/h3-4H,2H2,1H3;
InChIKeyYDUZTZSSSYZZAZ-UHFFFAOYSA-N
MW216.69 g/mol
LogP0.18
Rot. Bonds2

About copper;1,3,5-triazin-2-yl propanoate

copper;1,3,5-triazin-2-yl propanoate (PubChem CID 174784451) has the molecular formula C6H7CuN3O2 and a molecular weight of 216.69 g/mol. Its IUPAC name is copper;1,3,5-triazin-2-yl propanoate.

Molecular Properties

Compound Namecopper;1,3,5-triazin-2-yl propanoate
PubChem CID174784451
Molecular FormulaC6H7CuN3O2
Molecular Weight216.69 g/mol
Exact Mass215.98
IUPAC Namecopper;1,3,5-triazin-2-yl propanoate
SMILESCCC(=O)Oc1ncncn1.[Cu]
InChIInChI=1S/C6H7N3O2.Cu/c1-2-5(10)11-6-8-3-7-4-9-6;/h3-4H,2H2,1H3;
InChIKeyYDUZTZSSSYZZAZ-UHFFFAOYSA-N
XLogP0.18
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazin-2-yl acetate
CID 18676248
1-Methyl-1,3,5-triazin-1-ium acetate
CID 22998712
1,3,5-Triazin-2-yl 3-oxobutanoate
CID 56982320
(4-Chloro-1,3,5-triazin-2-yl) 2-oxopropanoate
CID 141065560
(4-Chloro-1,3,5-triazin-2-yl) propanoate
CID 141163855
Acetic acid;1,3,5-triazine
CID 160414656
1,3,5-Triazin-2-yl 2-methylbutanoate
CID 162483596
Propanoic acid;1,3,5-triazine
CID 163846702
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 propanoate
CID 153804795

Frequently Asked Questions

What is the IUPAC name of copper;1,3,5-triazin-2-yl propanoate?
The IUPAC name of copper;1,3,5-triazin-2-yl propanoate (CID 174784451) is copper;1,3,5-triazin-2-yl propanoate.
What is the SMILES notation for copper;1,3,5-triazin-2-yl propanoate?
The canonical SMILES for copper;1,3,5-triazin-2-yl propanoate is CCC(=O)Oc1ncncn1.[Cu].
What is the InChIKey of copper;1,3,5-triazin-2-yl propanoate?
The InChIKey is YDUZTZSSSYZZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2.Cu/c1-2-5(10)11-6-8-3-7-4-9-6;/h3-4H,2H2,1H3;.
What are the key properties of copper;1,3,5-triazin-2-yl propanoate?
copper;1,3,5-triazin-2-yl propanoate has a molecular weight of 216.69 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1,3,5-triazin-2-yl propanoate is sourced from PubChem (CID 174784451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).