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

C15H15N3 — CID 117139519

IUPAC6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccc(Cc2nnc3ccc(C)cn23)c1
InChIInChI=1S/C15H15N3/c1-11-4-3-5-13(8-11)9-15-17-16-14-7-6-12(2)10-18(14)15/h3-8,10H,9H2,1-2H3
InChIKeyJTKSHGGLOHDSJB-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.94
Rot. Bonds2

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

6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117139519) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117139519
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccc(Cc2nnc3ccc(C)cn23)c1
InChIInChI=1S/C15H15N3/c1-11-4-3-5-13(8-11)9-15-17-16-14-7-6-12(2)10-18(14)15/h3-8,10H,9H2,1-2H3
InChIKeyJTKSHGGLOHDSJB-UHFFFAOYSA-N
XLogP2.94
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62539041
3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139685
3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline
CID 82058656
3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139567
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141938
3-[(2-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139614
3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139612
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146892
3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117138056
2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 105436826
[4-methyl-5-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 112593949
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142747

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117139519) is 6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is Cc1cccc(Cc2nnc3ccc(C)cn23)c1.
What is the InChIKey of 6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is JTKSHGGLOHDSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-4-3-5-13(8-11)9-15-17-16-14-7-6-12(2)10-18(14)15/h3-8,10H,9H2,1-2H3.
What are the key properties of 6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 237.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117139519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).