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

C14H20N6S — CID 134788124

IUPAC5-[(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
SMILESc1ncc(CN2CCn3c(nnc3C3CCCNC3)C2)s1
InChIInChI=1S/C14H20N6S/c1-2-11(6-15-3-1)14-18-17-13-9-19(4-5-20(13)14)8-12-7-16-10-21-12/h7,10-11,15H,1-6,8-9H2
InChIKeyYXSPDGVBPVQIKY-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.22
Rot. Bonds3

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

5-[(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole (PubChem CID 134788124) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-[(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
PubChem CID134788124
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name5-[(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
SMILESc1ncc(CN2CCn3c(nnc3C3CCCNC3)C2)s1
InChIInChI=1S/C14H20N6S/c1-2-11(6-15-3-1)14-18-17-13-9-19(4-5-20(13)14)8-12-7-16-10-21-12/h7,10-11,15H,1-6,8-9H2
InChIKeyYXSPDGVBPVQIKY-UHFFFAOYSA-N
XLogP1.22
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole (CID 134788124) is 5-[(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole is c1ncc(CN2CCn3c(nnc3C3CCCNC3)C2)s1.
What is the InChIKey of 5-[(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole?
The InChIKey is YXSPDGVBPVQIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-2-11(6-15-3-1)14-18-17-13-9-19(4-5-20(13)14)8-12-7-16-10-21-12/h7,10-11,15H,1-6,8-9H2.
What are the key properties of 5-[(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole?
5-[(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole has a molecular weight of 304.42 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 134788124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).