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

C9H11N5OS — CID 64578504

IUPAC[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(N2CCn3cnnc3C2)s1
InChIInChI=1S/C9H11N5OS/c15-5-7-3-10-9(16-7)13-1-2-14-6-11-12-8(14)4-13/h3,6,15H,1-2,4-5H2
InChIKeyUSGXBHTZMUUNHZ-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.25
Rot. Bonds2

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

[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 64578504) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-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)-1,3-thiazol-5-yl]methanol
PubChem CID64578504
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(N2CCn3cnnc3C2)s1
InChIInChI=1S/C9H11N5OS/c15-5-7-3-10-9(16-7)13-1-2-14-6-11-12-8(14)4-13/h3,6,15H,1-2,4-5H2
InChIKeyUSGXBHTZMUUNHZ-UHFFFAOYSA-N
XLogP0.25
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-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)-1,3-thiazol-5-yl]methanol (CID 64578504) is [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-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)-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)-1,3-thiazol-5-yl]methanol is OCc1cnc(N2CCn3cnnc3C2)s1.
What is the InChIKey of [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is USGXBHTZMUUNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c15-5-7-3-10-9(16-7)13-1-2-14-6-11-12-8(14)4-13/h3,6,15H,1-2,4-5H2.
What are the key properties of [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol?
[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 237.29 g/mol, XLogP of 0.25, 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)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 64578504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).