ethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate

C11H13N5O2S — CID 80568661

IUPACethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N2CCn3cnnc3C2)n1
InChIInChI=1S/C11H13N5O2S/c1-2-18-10(17)8-6-19-11(13-8)15-3-4-16-7-12-14-9(16)5-15/h6-7H,2-5H2,1H3
InChIKeyFRNFASSNXXFUHW-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.93
Rot. Bonds3

About ethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate

ethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate (PubChem CID 80568661) has the molecular formula C11H13N5O2S and a molecular weight of 279.33 g/mol. Its IUPAC name is ethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate
PubChem CID80568661
Molecular FormulaC11H13N5O2S
Molecular Weight279.33 g/mol
Exact Mass279.08
IUPAC Nameethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N2CCn3cnnc3C2)n1
InChIInChI=1S/C11H13N5O2S/c1-2-18-10(17)8-6-19-11(13-8)15-3-4-16-7-12-14-9(16)5-15/h6-7H,2-5H2,1H3
InChIKeyFRNFASSNXXFUHW-UHFFFAOYSA-N
XLogP0.93
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate (CID 80568661) is ethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N2CCn3cnnc3C2)n1.
What is the InChIKey of ethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is FRNFASSNXXFUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-2-18-10(17)8-6-19-11(13-8)15-3-4-16-7-12-14-9(16)5-15/h6-7H,2-5H2,1H3.
What are the key properties of ethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate?
ethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 279.33 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80568661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).