2-[3-(2-phenyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]ethanol;hydrochloride

C16H18ClN5OS — CID 67452084

IUPAC2-[3-(2-phenyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]ethanol;hydrochloride
SMILESCl.OCCC1NCCn2c(-c3csc(-c4ccccc4)n3)nnc21
InChIInChI=1S/C16H17N5OS.ClH/c22-9-6-12-14-19-20-15(21(14)8-7-17-12)13-10-23-16(18-13)11-4-2-1-3-5-11;/h1-5,10,12,17,22H,6-9H2;1H
InChIKeyPOHBKEBDKWIUNW-UHFFFAOYSA-N
MW363.87 g/mol
LogP2.52
Rot. Bonds4

About 2-[3-(2-phenyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]ethanol;hydrochloride

2-[3-(2-phenyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]ethanol;hydrochloride (PubChem CID 67452084) has the molecular formula C16H18ClN5OS and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-[3-(2-phenyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[3-(2-phenyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]ethanol;hydrochloride
PubChem CID67452084
Molecular FormulaC16H18ClN5OS
Molecular Weight363.87 g/mol
Exact Mass363.09
IUPAC Name2-[3-(2-phenyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]ethanol;hydrochloride
SMILESCl.OCCC1NCCn2c(-c3csc(-c4ccccc4)n3)nnc21
InChIInChI=1S/C16H17N5OS.ClH/c22-9-6-12-14-19-20-15(21(14)8-7-17-12)13-10-23-16(18-13)11-4-2-1-3-5-11;/h1-5,10,12,17,22H,6-9H2;1H
InChIKeyPOHBKEBDKWIUNW-UHFFFAOYSA-N
XLogP2.52
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]ethanol;hydrochloride?
The IUPAC name of 2-[3-(2-phenyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]ethanol;hydrochloride (CID 67452084) is 2-[3-(2-phenyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[3-(2-phenyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[3-(2-phenyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]ethanol;hydrochloride is Cl.OCCC1NCCn2c(-c3csc(-c4ccccc4)n3)nnc21.
What is the InChIKey of 2-[3-(2-phenyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]ethanol;hydrochloride?
The InChIKey is POHBKEBDKWIUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS.ClH/c22-9-6-12-14-19-20-15(21(14)8-7-17-12)13-10-23-16(18-13)11-4-2-1-3-5-11;/h1-5,10,12,17,22H,6-9H2;1H.
What are the key properties of 2-[3-(2-phenyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]ethanol;hydrochloride?
2-[3-(2-phenyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]ethanol;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]ethanol;hydrochloride is sourced from PubChem (CID 67452084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).