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

C10H16N4S — CID 81450389

IUPAC3-(2-methylthiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1(c2nnc3n2CCNC3)CCCS1
InChIInChI=1S/C10H16N4S/c1-10(3-2-6-15-10)9-13-12-8-7-11-4-5-14(8)9/h11H,2-7H2,1H3
InChIKeyNMNLXFARZXYDCL-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.12
Rot. Bonds1

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

3-(2-methylthiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 81450389) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-(2-methylthiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2-methylthiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID81450389
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name3-(2-methylthiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1(c2nnc3n2CCNC3)CCCS1
InChIInChI=1S/C10H16N4S/c1-10(3-2-6-15-10)9-13-12-8-7-11-4-5-14(8)9/h11H,2-7H2,1H3
InChIKeyNMNLXFARZXYDCL-UHFFFAOYSA-N
XLogP1.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylthiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2-methylthiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 81450389) is 3-(2-methylthiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2-methylthiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2-methylthiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC1(c2nnc3n2CCNC3)CCCS1.
What is the InChIKey of 3-(2-methylthiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NMNLXFARZXYDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-10(3-2-6-15-10)9-13-12-8-7-11-4-5-14(8)9/h11H,2-7H2,1H3.
What are the key properties of 3-(2-methylthiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2-methylthiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 224.33 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylthiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 81450389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).