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

C10H10ClN5O2S — CID 64576628

IUPACmethyl 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCn3cnnc3C2)nc1Cl
InChIInChI=1S/C10H10ClN5O2S/c1-18-9(17)7-8(11)13-10(19-7)15-2-3-16-5-12-14-6(16)4-15/h5H,2-4H2,1H3
InChIKeySPTJNMZDBHAPQV-UHFFFAOYSA-N
MW299.74 g/mol
LogP1.19
Rot. Bonds2

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

methyl 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate (PubChem CID 64576628) has the molecular formula C10H10ClN5O2S and a molecular weight of 299.74 g/mol. Its IUPAC name is methyl 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate
PubChem CID64576628
Molecular FormulaC10H10ClN5O2S
Molecular Weight299.74 g/mol
Exact Mass299.02
IUPAC Namemethyl 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCn3cnnc3C2)nc1Cl
InChIInChI=1S/C10H10ClN5O2S/c1-18-9(17)7-8(11)13-10(19-7)15-2-3-16-5-12-14-6(16)4-15/h5H,2-4H2,1H3
InChIKeySPTJNMZDBHAPQV-UHFFFAOYSA-N
XLogP1.19
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-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 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate (CID 64576628) is methyl 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N2CCn3cnnc3C2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is SPTJNMZDBHAPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2S/c1-18-9(17)7-8(11)13-10(19-7)15-2-3-16-5-12-14-6(16)4-15/h5H,2-4H2,1H3.
What are the key properties of methyl 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 299.74 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 64576628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).