3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole

C14H17N7OS — CID 70712268

IUPAC3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCSCc1noc(Cn2ccnc2-c2cc3n(n2)CCNC3)n1
InChIInChI=1S/C14H17N7OS/c1-23-9-12-17-13(22-19-12)8-20-4-3-16-14(20)11-6-10-7-15-2-5-21(10)18-11/h3-4,6,15H,2,5,7-9H2,1H3
InChIKeyFEUISDRMTLIKMW-UHFFFAOYSA-N
MW331.41 g/mol
LogP1.14
Rot. Bonds5

About 3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole

3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 70712268) has the molecular formula C14H17N7OS and a molecular weight of 331.41 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID70712268
Molecular FormulaC14H17N7OS
Molecular Weight331.41 g/mol
Exact Mass331.12
IUPAC Name3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCSCc1noc(Cn2ccnc2-c2cc3n(n2)CCNC3)n1
InChIInChI=1S/C14H17N7OS/c1-23-9-12-17-13(22-19-12)8-20-4-3-16-14(20)11-6-10-7-15-2-5-21(10)18-11/h3-4,6,15H,2,5,7-9H2,1H3
InChIKeyFEUISDRMTLIKMW-UHFFFAOYSA-N
XLogP1.14
TPSA86.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole (CID 70712268) is 3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole is CSCc1noc(Cn2ccnc2-c2cc3n(n2)CCNC3)n1.
What is the InChIKey of 3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is FEUISDRMTLIKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7OS/c1-23-9-12-17-13(22-19-12)8-20-4-3-16-14(20)11-6-10-7-15-2-5-21(10)18-11/h3-4,6,15H,2,5,7-9H2,1H3.
What are the key properties of 3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 331.41 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 70712268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).