1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol

C11H11N5OS — CID 103710821

IUPAC1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol
SMILESOC(CNc1nccn2cnnc12)c1ccsc1
InChIInChI=1S/C11H11N5OS/c17-9(8-1-4-18-6-8)5-13-10-11-15-14-7-16(11)3-2-12-10/h1-4,6-7,9,17H,5H2,(H,12,13)
InChIKeyIKRZPKWCMPQSLZ-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.33
Rot. Bonds4

About 1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol

1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol (PubChem CID 103710821) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol.

Molecular Properties

Compound Name1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol
PubChem CID103710821
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol
SMILESOC(CNc1nccn2cnnc12)c1ccsc1
InChIInChI=1S/C11H11N5OS/c17-9(8-1-4-18-6-8)5-13-10-11-15-14-7-16(11)3-2-12-10/h1-4,6-7,9,17H,5H2,(H,12,13)
InChIKeyIKRZPKWCMPQSLZ-UHFFFAOYSA-N
XLogP1.33
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol
CID 106435664
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one
CID 106435749
3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid
CID 65226260
4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol
CID 113245585
2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106435613
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188670
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436412
N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 65030166
2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 102975891
5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid
CID 106435593
2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 103761546
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol?
The IUPAC name of 1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol (CID 103710821) is 1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol.
What is the SMILES notation for 1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol?
The canonical SMILES for 1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol is OC(CNc1nccn2cnnc12)c1ccsc1.
What is the InChIKey of 1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol?
The InChIKey is IKRZPKWCMPQSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c17-9(8-1-4-18-6-8)5-13-10-11-15-14-7-16(11)3-2-12-10/h1-4,6-7,9,17H,5H2,(H,12,13).
What are the key properties of 1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol?
1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol has a molecular weight of 261.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol is sourced from PubChem (CID 103710821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).