5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

C12H11N9OS — CID 71873107

IUPAC5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCc1cc(C)n2nc(SCc3nc(-c4ncn[nH]4)no3)nc2n1
InChIInChI=1S/C12H11N9OS/c1-6-3-7(2)21-11(15-6)17-12(19-21)23-4-8-16-10(20-22-8)9-13-5-14-18-9/h3,5H,4H2,1-2H3,(H,13,14,18)
InChIKeyYSBINVPDAZZBKY-UHFFFAOYSA-N
MW329.35 g/mol
LogP1.20
Rot. Bonds4

About 5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 71873107) has the molecular formula C12H11N9OS and a molecular weight of 329.35 g/mol. Its IUPAC name is 5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID71873107
Molecular FormulaC12H11N9OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC Name5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCc1cc(C)n2nc(SCc3nc(-c4ncn[nH]4)no3)nc2n1
InChIInChI=1S/C12H11N9OS/c1-6-3-7(2)21-11(15-6)17-12(19-21)23-4-8-16-10(20-22-8)9-13-5-14-18-9/h3,5H,4H2,1-2H3,(H,13,14,18)
InChIKeyYSBINVPDAZZBKY-UHFFFAOYSA-N
XLogP1.20
TPSA123.57 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 38079955
3-(2,4-dimethoxyphenyl)-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 9441375
5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5173536
4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-2,5-dimethyl-1,3-oxazole
CID 122154287
5,7-dimethyl-2-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12915206
2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 17398045
3-(4-methylphenyl)-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 46482340
2-[(2R)-butan-2-yl]sulfanyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 1018090
N-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63348232
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole
CID 52729567
methyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzoate
CID 2587145
6-methyl-2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidin-4-amine
CID 172722784

Frequently Asked Questions

What is the IUPAC name of 5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 71873107) is 5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is Cc1cc(C)n2nc(SCc3nc(-c4ncn[nH]4)no3)nc2n1.
What is the InChIKey of 5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is YSBINVPDAZZBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N9OS/c1-6-3-7(2)21-11(15-6)17-12(19-21)23-4-8-16-10(20-22-8)9-13-5-14-18-9/h3,5H,4H2,1-2H3,(H,13,14,18).
What are the key properties of 5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 329.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71873107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).