7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C15H19N3 — CID 117151565

IUPAC7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccc(Cc2nnc3n2CCC(C)C3)c1
InChIInChI=1S/C15H19N3/c1-11-4-3-5-13(8-11)10-15-17-16-14-9-12(2)6-7-18(14)15/h3-5,8,12H,6-7,9-10H2,1-2H3
InChIKeyPYMMYGHWQSCLNT-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.76
Rot. Bonds2

About 7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117151565) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117151565
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccc(Cc2nnc3n2CCC(C)C3)c1
InChIInChI=1S/C15H19N3/c1-11-4-3-5-13(8-11)10-15-17-16-14-9-12(2)6-7-18(14)15/h3-5,8,12H,6-7,9-10H2,1-2H3
InChIKeyPYMMYGHWQSCLNT-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 117151565) is 7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is Cc1cccc(Cc2nnc3n2CCC(C)C3)c1.
What is the InChIKey of 7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is PYMMYGHWQSCLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-4-3-5-13(8-11)10-15-17-16-14-9-12(2)6-7-18(14)15/h3-5,8,12H,6-7,9-10H2,1-2H3.
What are the key properties of 7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 241.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117151565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).