4-(methoxymethyl)-6-methyl-2-[[3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]pyridine-3-carbonitrile

C15H15N7O2S — CID 91972552

IUPAC4-(methoxymethyl)-6-methyl-2-[[3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]pyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(SCc2nc(-c3nonc3C)n[nH]2)c1C#N
InChIInChI=1S/C15H15N7O2S/c1-8-4-10(6-23-3)11(5-16)15(17-8)25-7-12-18-14(20-19-12)13-9(2)21-24-22-13/h4H,6-7H2,1-3H3,(H,18,19,20)
InChIKeyCTLGWFSBZXJMPO-UHFFFAOYSA-N
MW357.40 g/mol
LogP2.18
Rot. Bonds6

About 4-(methoxymethyl)-6-methyl-2-[[3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]pyridine-3-carbonitrile

4-(methoxymethyl)-6-methyl-2-[[3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]pyridine-3-carbonitrile (PubChem CID 91972552) has the molecular formula C15H15N7O2S and a molecular weight of 357.40 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-2-[[3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-2-[[3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]pyridine-3-carbonitrile
PubChem CID91972552
Molecular FormulaC15H15N7O2S
Molecular Weight357.40 g/mol
Exact Mass357.10
IUPAC Name4-(methoxymethyl)-6-methyl-2-[[3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]pyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(SCc2nc(-c3nonc3C)n[nH]2)c1C#N
InChIInChI=1S/C15H15N7O2S/c1-8-4-10(6-23-3)11(5-16)15(17-8)25-7-12-18-14(20-19-12)13-9(2)21-24-22-13/h4H,6-7H2,1-3H3,(H,18,19,20)
InChIKeyCTLGWFSBZXJMPO-UHFFFAOYSA-N
XLogP2.18
TPSA126.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(methoxymethyl)-6-methyl-2-[[3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-2-[[3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 4-(methoxymethyl)-6-methyl-2-[[3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]pyridine-3-carbonitrile (CID 91972552) is 4-(methoxymethyl)-6-methyl-2-[[3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-2-[[3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-2-[[3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]pyridine-3-carbonitrile is COCc1cc(C)nc(SCc2nc(-c3nonc3C)n[nH]2)c1C#N.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-2-[[3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]pyridine-3-carbonitrile?
The InChIKey is CTLGWFSBZXJMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2S/c1-8-4-10(6-23-3)11(5-16)15(17-8)25-7-12-18-14(20-19-12)13-9(2)21-24-22-13/h4H,6-7H2,1-3H3,(H,18,19,20).
What are the key properties of 4-(methoxymethyl)-6-methyl-2-[[3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]pyridine-3-carbonitrile?
4-(methoxymethyl)-6-methyl-2-[[3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]pyridine-3-carbonitrile has a molecular weight of 357.40 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-2-[[3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 91972552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).