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

C12H16N4S — CID 65238063

IUPAC3-(4,5-dimethylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1cc(-c2nnc3n2CCNC3C)sc1C
InChIInChI=1S/C12H16N4S/c1-7-6-10(17-9(7)3)12-15-14-11-8(2)13-4-5-16(11)12/h6,8,13H,4-5H2,1-3H3
InChIKeyZQMPFJRXGBXIPQ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.29
Rot. Bonds1

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

3-(4,5-dimethylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 65238063) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-(4,5-dimethylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(4,5-dimethylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID65238063
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name3-(4,5-dimethylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1cc(-c2nnc3n2CCNC3C)sc1C
InChIInChI=1S/C12H16N4S/c1-7-6-10(17-9(7)3)12-15-14-11-8(2)13-4-5-16(11)12/h6,8,13H,4-5H2,1-3H3
InChIKeyZQMPFJRXGBXIPQ-UHFFFAOYSA-N
XLogP2.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(4,5-dimethylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 65238063) is 3-(4,5-dimethylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(4,5-dimethylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(4,5-dimethylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Cc1cc(-c2nnc3n2CCNC3C)sc1C.
What is the InChIKey of 3-(4,5-dimethylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ZQMPFJRXGBXIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-7-6-10(17-9(7)3)12-15-14-11-8(2)13-4-5-16(11)12/h6,8,13H,4-5H2,1-3H3.
What are the key properties of 3-(4,5-dimethylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(4,5-dimethylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 248.35 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 65238063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).