5-methyl-2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C15H19N3S — CID 82567632

IUPAC5-methyl-2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCSc1ccccc1Cc1nc2n(n1)C(C)CCC2
InChIInChI=1S/C15H19N3S/c1-11-6-5-9-15-16-14(17-18(11)15)10-12-7-3-4-8-13(12)19-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyQHMPVZWWQFPROB-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.49
Rot. Bonds3

About 5-methyl-2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

5-methyl-2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 82567632) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-methyl-2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-methyl-2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID82567632
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name5-methyl-2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCSc1ccccc1Cc1nc2n(n1)C(C)CCC2
InChIInChI=1S/C15H19N3S/c1-11-6-5-9-15-16-14(17-18(11)15)10-12-7-3-4-8-13(12)19-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyQHMPVZWWQFPROB-UHFFFAOYSA-N
XLogP3.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-methyl-2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 82567632) is 5-methyl-2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-methyl-2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-methyl-2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CSc1ccccc1Cc1nc2n(n1)C(C)CCC2.
What is the InChIKey of 5-methyl-2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QHMPVZWWQFPROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-11-6-5-9-15-16-14(17-18(11)15)10-12-7-3-4-8-13(12)19-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of 5-methyl-2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
5-methyl-2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 273.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 82567632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).