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

C15H22N6S — CID 120825995

IUPAC2-methyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1ncc(CN2CCC(c3nnc4n3CCNC4)CC2)s1
InChIInChI=1S/C15H22N6S/c1-11-17-8-13(22-11)10-20-5-2-12(3-6-20)15-19-18-14-9-16-4-7-21(14)15/h8,12,16H,2-7,9-10H2,1H3
InChIKeyIODJRLLYVSBDCU-UHFFFAOYSA-N
MW318.45 g/mol
LogP1.53
Rot. Bonds3

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

2-methyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 120825995) has the molecular formula C15H22N6S and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-methyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID120825995
Molecular FormulaC15H22N6S
Molecular Weight318.45 g/mol
Exact Mass318.16
IUPAC Name2-methyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1ncc(CN2CCC(c3nnc4n3CCNC4)CC2)s1
InChIInChI=1S/C15H22N6S/c1-11-17-8-13(22-11)10-20-5-2-12(3-6-20)15-19-18-14-9-16-4-7-21(14)15/h8,12,16H,2-7,9-10H2,1H3
InChIKeyIODJRLLYVSBDCU-UHFFFAOYSA-N
XLogP1.53
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 120825995) is 2-methyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole is Cc1ncc(CN2CCC(c3nnc4n3CCNC4)CC2)s1.
What is the InChIKey of 2-methyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is IODJRLLYVSBDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6S/c1-11-17-8-13(22-11)10-20-5-2-12(3-6-20)15-19-18-14-9-16-4-7-21(14)15/h8,12,16H,2-7,9-10H2,1H3.
What are the key properties of 2-methyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole?
2-methyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 318.45 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 120825995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).