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

C14H17N3 — CID 117151745

IUPAC7-methyl-3-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccccc1-c1nnc2n1CCC(C)C2
InChIInChI=1S/C14H17N3/c1-10-7-8-17-13(9-10)15-16-14(17)12-6-4-3-5-11(12)2/h3-6,10H,7-9H2,1-2H3
InChIKeyKNXGCUCWGZBCEJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.84
Rot. Bonds1

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

7-methyl-3-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117151745) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 7-methyl-3-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-methyl-3-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117151745
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name7-methyl-3-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccccc1-c1nnc2n1CCC(C)C2
InChIInChI=1S/C14H17N3/c1-10-7-8-17-13(9-10)15-16-14(17)12-6-4-3-5-11(12)2/h3-6,10H,7-9H2,1-2H3
InChIKeyKNXGCUCWGZBCEJ-UHFFFAOYSA-N
XLogP2.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157026
N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline
CID 78990700
3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151742
7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151565
7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
CID 83866335
3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151812
(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine
CID 83871112
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-methylaniline
CID 43142774
2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 117151111
3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151577
3-bromo-7-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82124477
3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005501

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-methyl-3-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 117151745) is 7-methyl-3-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-methyl-3-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-methyl-3-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccccc1-c1nnc2n1CCC(C)C2.
What is the InChIKey of 7-methyl-3-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is KNXGCUCWGZBCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-7-8-17-13(9-10)15-16-14(17)12-6-4-3-5-11(12)2/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 7-methyl-3-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
7-methyl-3-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 227.31 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117151745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).