methyl 2-(7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate

C12H10N4O2S — CID 103200965

IUPACmethyl 2-(7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
SMILESCOC(=O)Cc1nc2nccc(-c3ccsc3)n2n1
InChIInChI=1S/C12H10N4O2S/c1-18-11(17)6-10-14-12-13-4-2-9(16(12)15-10)8-3-5-19-7-8/h2-5,7H,6H2,1H3
InChIKeyDUHRGUHFCBZEBH-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.57
Rot. Bonds3

About methyl 2-(7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate

methyl 2-(7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate (PubChem CID 103200965) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is methyl 2-(7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
PubChem CID103200965
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Namemethyl 2-(7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
SMILESCOC(=O)Cc1nc2nccc(-c3ccsc3)n2n1
InChIInChI=1S/C12H10N4O2S/c1-18-11(17)6-10-14-12-13-4-2-9(16(12)15-10)8-3-5-19-7-8/h2-5,7H,6H2,1H3
InChIKeyDUHRGUHFCBZEBH-UHFFFAOYSA-N
XLogP1.57
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
The IUPAC name of methyl 2-(7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate (CID 103200965) is methyl 2-(7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
The canonical SMILES for methyl 2-(7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate is COC(=O)Cc1nc2nccc(-c3ccsc3)n2n1.
What is the InChIKey of methyl 2-(7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
The InChIKey is DUHRGUHFCBZEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-18-11(17)6-10-14-12-13-4-2-9(16(12)15-10)8-3-5-19-7-8/h2-5,7H,6H2,1H3.
What are the key properties of methyl 2-(7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
methyl 2-(7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate has a molecular weight of 274.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate is sourced from PubChem (CID 103200965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).