4-methyl-2-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole

C10H13N5S — CID 89493217

IUPAC4-methyl-2-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole
SMILESCc1csc(-c2nnc3n2CCN[C@@H]3C)n1
InChIInChI=1S/C10H13N5S/c1-6-5-16-10(12-6)9-14-13-8-7(2)11-3-4-15(8)9/h5,7,11H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyAKIBBMUXIUBRAY-SSDOTTSWSA-N
MW235.32 g/mol
LogP1.37
Rot. Bonds1

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

4-methyl-2-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole (PubChem CID 89493217) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 4-methyl-2-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole
PubChem CID89493217
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name4-methyl-2-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole
SMILESCc1csc(-c2nnc3n2CCN[C@@H]3C)n1
InChIInChI=1S/C10H13N5S/c1-6-5-16-10(12-6)9-14-13-8-7(2)11-3-4-15(8)9/h5,7,11H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyAKIBBMUXIUBRAY-SSDOTTSWSA-N
XLogP1.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole (CID 89493217) is 4-methyl-2-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole is Cc1csc(-c2nnc3n2CCN[C@@H]3C)n1.
What is the InChIKey of 4-methyl-2-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole?
The InChIKey is AKIBBMUXIUBRAY-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13N5S/c1-6-5-16-10(12-6)9-14-13-8-7(2)11-3-4-15(8)9/h5,7,11H,3-4H2,1-2H3/t7-/m1/s1.
What are the key properties of 4-methyl-2-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole?
4-methyl-2-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole has a molecular weight of 235.32 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole is sourced from PubChem (CID 89493217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).