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

C16H17N5OS — CID 67452085

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
SMILESOCCC1NCCn2c(-c3csc(-c4ccccc4)n3)nnc21
InChIInChI=1S/C16H17N5OS/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
InChIKeyZFHNKNVTIWYYCD-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.10
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

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 (PubChem CID 67452085) has the molecular formula C16H17N5OS and a molecular weight of 327.41 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.

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
PubChem CID67452085
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
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
SMILESOCCC1NCCn2c(-c3csc(-c4ccccc4)n3)nnc21
InChIInChI=1S/C16H17N5OS/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
InChIKeyZFHNKNVTIWYYCD-UHFFFAOYSA-N
XLogP2.10
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4-fluorophenyl)(8-(2-hydroxyethyl)-3-(2-phenylthiazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 53482271
4-[(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(2-fluorophenyl)-1,3-thiazole
CID 53564290
4-[(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-phenyl-1,3-thiazole
CID 53565460
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53568178
2-benzyl-4-[(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
CID 53569944
2-benzyl-4-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
CID 53571120
2-(4-fluorophenyl)-4-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
CID 53575445
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53579583
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53581885
4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-phenyl-1,3-thiazole
CID 71932676
4-({3-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl}methyl)-1,3-thiazole
CID 71988432
2-phenyl-N-((6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)thiazole-4-carboxamide
CID 121021995

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?
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 (CID 67452085) 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.
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?
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 is 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?
The InChIKey is ZFHNKNVTIWYYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/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.
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?
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 has a molecular weight of 327.41 g/mol, XLogP of 2.10, 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 is sourced from PubChem (CID 67452085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).