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

C9H11N5S — CID 89493174

IUPAC4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
SMILESCc1csc(-c2nnc3n2CCNC3)n1
InChIInChI=1S/C9H11N5S/c1-6-5-15-9(11-6)8-13-12-7-4-10-2-3-14(7)8/h5,10H,2-4H2,1H3
InChIKeyVSWDKJRPEMSPPA-UHFFFAOYSA-N
MW221.29 g/mol
LogP0.81
Rot. Bonds1

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

4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole (PubChem CID 89493174) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
PubChem CID89493174
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
SMILESCc1csc(-c2nnc3n2CCNC3)n1
InChIInChI=1S/C9H11N5S/c1-6-5-15-9(11-6)8-13-12-7-4-10-2-3-14(7)8/h5,10H,2-4H2,1H3
InChIKeyVSWDKJRPEMSPPA-UHFFFAOYSA-N
XLogP0.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(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-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole (CID 89493174) is 4-methyl-2-(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-(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-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole is Cc1csc(-c2nnc3n2CCNC3)n1.
What is the InChIKey of 4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole?
The InChIKey is VSWDKJRPEMSPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-6-5-15-9(11-6)8-13-12-7-4-10-2-3-14(7)8/h5,10H,2-4H2,1H3.
What are the key properties of 4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole?
4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole has a molecular weight of 221.29 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole is sourced from PubChem (CID 89493174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).