3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C10H12N4OS — CID 81128790

IUPAC3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1csc(-c2nnc3n2CCNC3)c1
InChIInChI=1S/C10H12N4OS/c1-15-7-4-8(16-6-7)10-13-12-9-5-11-2-3-14(9)10/h4,6,11H,2-3,5H2,1H3
InChIKeyZGBMCGWLZMDMSD-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.12
Rot. Bonds2

About 3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 81128790) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID81128790
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1csc(-c2nnc3n2CCNC3)c1
InChIInChI=1S/C10H12N4OS/c1-15-7-4-8(16-6-7)10-13-12-9-5-11-2-3-14(9)10/h4,6,11H,2-3,5H2,1H3
InChIKeyZGBMCGWLZMDMSD-UHFFFAOYSA-N
XLogP1.12
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 81128790) is 3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is COc1csc(-c2nnc3n2CCNC3)c1.
What is the InChIKey of 3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ZGBMCGWLZMDMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-15-7-4-8(16-6-7)10-13-12-9-5-11-2-3-14(9)10/h4,6,11H,2-3,5H2,1H3.
What are the key properties of 3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 236.30 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 81128790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).