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

C15H20N4O — CID 82557409

IUPAC6-(2-methoxy-5-methylphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(C)cc1C1CCc2nc(N)nn2C1C
InChIInChI=1S/C15H20N4O/c1-9-4-6-13(20-3)12(8-9)11-5-7-14-17-15(16)18-19(14)10(11)2/h4,6,8,10-11H,5,7H2,1-3H3,(H2,16,18)
InChIKeySWXAORSETSOQNP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.47
Rot. Bonds2

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

6-(2-methoxy-5-methylphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82557409) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-(2-methoxy-5-methylphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-(2-methoxy-5-methylphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82557409
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-(2-methoxy-5-methylphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(C)cc1C1CCc2nc(N)nn2C1C
InChIInChI=1S/C15H20N4O/c1-9-4-6-13(20-3)12(8-9)11-5-7-14-17-15(16)18-19(14)10(11)2/h4,6,8,10-11H,5,7H2,1-3H3,(H2,16,18)
InChIKeySWXAORSETSOQNP-UHFFFAOYSA-N
XLogP2.47
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-methylphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-(2-methoxy-5-methylphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82557409) is 6-(2-methoxy-5-methylphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-(2-methoxy-5-methylphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-(2-methoxy-5-methylphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(C)cc1C1CCc2nc(N)nn2C1C.
What is the InChIKey of 6-(2-methoxy-5-methylphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is SWXAORSETSOQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9-4-6-13(20-3)12(8-9)11-5-7-14-17-15(16)18-19(14)10(11)2/h4,6,8,10-11H,5,7H2,1-3H3,(H2,16,18).
What are the key properties of 6-(2-methoxy-5-methylphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-(2-methoxy-5-methylphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 272.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-5-methylphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82557409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).