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

C9H10ClN5OS — CID 80692705

IUPAC[4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CCn3cnnc3C2)nc1Cl
InChIInChI=1S/C9H10ClN5OS/c10-8-6(4-16)17-9(12-8)14-1-2-15-5-11-13-7(15)3-14/h5,16H,1-4H2
InChIKeyUPKZVRFEGBSIAC-UHFFFAOYSA-N
MW271.73 g/mol
LogP0.90
Rot. Bonds2

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

[4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 80692705) has the molecular formula C9H10ClN5OS and a molecular weight of 271.73 g/mol. Its IUPAC name is [4-chloro-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[4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol
PubChem CID80692705
Molecular FormulaC9H10ClN5OS
Molecular Weight271.73 g/mol
Exact Mass271.03
IUPAC Name[4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CCn3cnnc3C2)nc1Cl
InChIInChI=1S/C9H10ClN5OS/c10-8-6(4-16)17-9(12-8)14-1-2-15-5-11-13-7(15)3-14/h5,16H,1-4H2
InChIKeyUPKZVRFEGBSIAC-UHFFFAOYSA-N
XLogP0.90
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol
CID 64578307
[4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol
CID 80691855
[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
[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol
CID 64578504
4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde
CID 80687800
4-chloro-5-(chloromethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole
CID 80688333
[4-Chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
CID 80692337
[4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol
CID 80692602
4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid
CID 80692974

Frequently Asked Questions

What is the IUPAC name of [4-chloro-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 [4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol (CID 80692705) is [4-chloro-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 [4-chloro-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 [4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol is OCc1sc(N2CCn3cnnc3C2)nc1Cl.
What is the InChIKey of [4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is UPKZVRFEGBSIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5OS/c10-8-6(4-16)17-9(12-8)14-1-2-15-5-11-13-7(15)3-14/h5,16H,1-4H2.
What are the key properties of [4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol?
[4-chloro-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 271.73 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-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 80692705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).