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

C10H13N5OS — CID 64578115

IUPAC[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(N2CCn3cnnc3C2)sc1CO
InChIInChI=1S/C10H13N5OS/c1-7-8(5-16)17-10(12-7)14-2-3-15-6-11-13-9(15)4-14/h6,16H,2-5H2,1H3
InChIKeyRETZDBASSFLUHP-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.56
Rot. Bonds2

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

[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methanol (PubChem CID 64578115) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methanol
PubChem CID64578115
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(N2CCn3cnnc3C2)sc1CO
InChIInChI=1S/C10H13N5OS/c1-7-8(5-16)17-10(12-7)14-2-3-15-6-11-13-9(15)4-14/h6,16H,2-5H2,1H3
InChIKeyRETZDBASSFLUHP-UHFFFAOYSA-N
XLogP0.56
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methanol 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 [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methanol (CID 64578115) is [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methanol is Cc1nc(N2CCn3cnnc3C2)sc1CO.
What is the InChIKey of [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methanol?
The InChIKey is RETZDBASSFLUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-7-8(5-16)17-10(12-7)14-2-3-15-6-11-13-9(15)4-14/h6,16H,2-5H2,1H3.
What are the key properties of [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methanol?
[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methanol has a molecular weight of 251.31 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 64578115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).