5-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C14H14N4 — CID 82061327

IUPAC5-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1ccccc1-c1nnc2ccc(N)c(C)n12
InChIInChI=1S/C14H14N4/c1-9-5-3-4-6-11(9)14-17-16-13-8-7-12(15)10(2)18(13)14/h3-8H,15H2,1-2H3
InChIKeyCMZYPIPYWINRNF-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.60
Rot. Bonds1

About 5-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

5-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 82061327) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name5-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID82061327
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name5-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1ccccc1-c1nnc2ccc(N)c(C)n12
InChIInChI=1S/C14H14N4/c1-9-5-3-4-6-11(9)14-17-16-13-8-7-12(15)10(2)18(13)14/h3-8H,15H2,1-2H3
InChIKeyCMZYPIPYWINRNF-UHFFFAOYSA-N
XLogP2.60
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061336
5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061325
3-(3-bromophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061334
6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139828
5-methyl-3-propyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061317
3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139829
1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline
CID 699634
2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
CID 139674338
2,3-dimethyl-5-(2-methylphenyl)imidazol-4-amine
CID 62225946
7-methoxy-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117143138
methyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384822
4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline
CID 82167064

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 5-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 82061327) is 5-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 5-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 5-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Cc1ccccc1-c1nnc2ccc(N)c(C)n12.
What is the InChIKey of 5-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is CMZYPIPYWINRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-5-3-4-6-11(9)14-17-16-13-8-7-12(15)10(2)18(13)14/h3-8H,15H2,1-2H3.
What are the key properties of 5-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
5-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 238.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 82061327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).