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

C10H11N5O2S — CID 113307210

IUPACmethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N2CCn3cnnc3C2)n1
InChIInChI=1S/C10H11N5O2S/c1-17-9(16)7-5-18-10(12-7)14-2-3-15-6-11-13-8(15)4-14/h5-6H,2-4H2,1H3
InChIKeyDVAAUJSXGASCDY-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.54
Rot. Bonds2

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

methyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate (PubChem CID 113307210) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is methyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate
PubChem CID113307210
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Namemethyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N2CCn3cnnc3C2)n1
InChIInChI=1S/C10H11N5O2S/c1-17-9(16)7-5-18-10(12-7)14-2-3-15-6-11-13-8(15)4-14/h5-6H,2-4H2,1H3
InChIKeyDVAAUJSXGASCDY-UHFFFAOYSA-N
XLogP0.54
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate (CID 113307210) is methyl 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 methyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(N2CCn3cnnc3C2)n1.
What is the InChIKey of methyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is DVAAUJSXGASCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-17-9(16)7-5-18-10(12-7)14-2-3-15-6-11-13-8(15)4-14/h5-6H,2-4H2,1H3.
What are the key properties of methyl 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate?
methyl 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 265.30 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 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 113307210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).