1-methyl-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine

C9H14N4S — CID 19612514

IUPAC1-methyl-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCSc1n[nH]c(C2=CCCN(C)C2)n1
InChIInChI=1S/C9H14N4S/c1-13-5-3-4-7(6-13)8-10-9(14-2)12-11-8/h4H,3,5-6H2,1-2H3,(H,10,11,12)
InChIKeyYRQVKQKUKVHSNH-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.25
Rot. Bonds2

About 1-methyl-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine

1-methyl-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 19612514) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 1-methyl-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID19612514
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name1-methyl-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCSc1n[nH]c(C2=CCCN(C)C2)n1
InChIInChI=1S/C9H14N4S/c1-13-5-3-4-7(6-13)8-10-9(14-2)12-11-8/h4H,3,5-6H2,1-2H3,(H,10,11,12)
InChIKeyYRQVKQKUKVHSNH-UHFFFAOYSA-N
XLogP1.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine (CID 19612514) is 1-methyl-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine is CSc1n[nH]c(C2=CCCN(C)C2)n1.
What is the InChIKey of 1-methyl-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is YRQVKQKUKVHSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-13-5-3-4-7(6-13)8-10-9(14-2)12-11-8/h4H,3,5-6H2,1-2H3,(H,10,11,12).
What are the key properties of 1-methyl-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine?
1-methyl-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 210.31 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 19612514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).