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

C15H19N3 — CID 117158127

IUPAC8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccccc1Cc1nc2n(n1)CCCC2C
InChIInChI=1S/C15H19N3/c1-11-6-3-4-8-13(11)10-14-16-15-12(2)7-5-9-18(15)17-14/h3-4,6,8,12H,5,7,9-10H2,1-2H3
InChIKeyQDCIRXPMJIIATH-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.07
Rot. Bonds2

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

8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117158127) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117158127
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccccc1Cc1nc2n(n1)CCCC2C
InChIInChI=1S/C15H19N3/c1-11-6-3-4-8-13(11)10-14-16-15-12(2)7-5-9-18(15)17-14/h3-4,6,8,12H,5,7,9-10H2,1-2H3
InChIKeyQDCIRXPMJIIATH-UHFFFAOYSA-N
XLogP3.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

3-[(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol
CID 117158112
2-[(2-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117158156
[2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156276
8-methyl-2-(thian-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157749
2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117155703
[2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanol
CID 117157483
2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 82567490
4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127940
8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117158236
2-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117158186
2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117137351
3-[(2-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117152945

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 117158127) is 8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccccc1Cc1nc2n(n1)CCCC2C.
What is the InChIKey of 8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QDCIRXPMJIIATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-6-3-4-8-13(11)10-14-16-15-12(2)7-5-9-18(15)17-14/h3-4,6,8,12H,5,7,9-10H2,1-2H3.
What are the key properties of 8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 241.34 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117158127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).