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

C10H14N4S — CID 141204988

IUPAC1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2H-pyridine
SMILESCSc1nnc(C2=CCN(C)C=C2)n1C
InChIInChI=1S/C10H14N4S/c1-13-6-4-8(5-7-13)9-11-12-10(15-3)14(9)2/h4-6H,7H2,1-3H3
InChIKeyWYXIGZPXOKAUSE-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.38
Rot. Bonds2

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

1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2H-pyridine (PubChem CID 141204988) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2H-pyridine
PubChem CID141204988
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2H-pyridine
SMILESCSc1nnc(C2=CCN(C)C=C2)n1C
InChIInChI=1S/C10H14N4S/c1-13-6-4-8(5-7-13)9-11-12-10(15-3)14(9)2/h4-6H,7H2,1-3H3
InChIKeyWYXIGZPXOKAUSE-UHFFFAOYSA-N
XLogP1.38
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-4-(4-methyl-5-methylsulfanyl-4h-[1,2,4]triazol-3-yl)-1h-pyridin-2-one
CID 24852061
(1Z,3E)-3-(4-cyclopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)hexa-1,3,5-trien-1-amine
CID 89020480
1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine
CID 141204986
4-(4-Methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine
CID 141204989
N,4-dimethyl-5-(1-methyl-2H-pyridin-4-yl)-1,2,4-triazol-3-amine
CID 141239647

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2H-pyridine?
The IUPAC name of 1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2H-pyridine (CID 141204988) is 1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2H-pyridine?
The canonical SMILES for 1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2H-pyridine is CSc1nnc(C2=CCN(C)C=C2)n1C.
What is the InChIKey of 1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2H-pyridine?
The InChIKey is WYXIGZPXOKAUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-13-6-4-8(5-7-13)9-11-12-10(15-3)14(9)2/h4-6H,7H2,1-3H3.
What are the key properties of 1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2H-pyridine?
1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2H-pyridine has a molecular weight of 222.32 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2H-pyridine is sourced from PubChem (CID 141204988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).