2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline

C17H24N4O — CID 83966772

IUPAC2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
SMILESCC(C)COc1ccc(-c2nc3n(n2)CCCC3C)cc1N
InChIInChI=1S/C17H24N4O/c1-11(2)10-22-15-7-6-13(9-14(15)18)16-19-17-12(3)5-4-8-21(17)20-16/h6-7,9,11-12H,4-5,8,10,18H2,1-3H3
InChIKeySSMLLZRTIHRFJA-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.46
Rot. Bonds4

About 2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline

2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline (PubChem CID 83966772) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline.

Molecular Properties

Compound Name2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
PubChem CID83966772
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
SMILESCC(C)COc1ccc(-c2nc3n(n2)CCCC3C)cc1N
InChIInChI=1S/C17H24N4O/c1-11(2)10-22-15-7-6-13(9-14(15)18)16-19-17-12(3)5-4-8-21(17)20-16/h6-7,9,11-12H,4-5,8,10,18H2,1-3H3
InChIKeySSMLLZRTIHRFJA-UHFFFAOYSA-N
XLogP3.46
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The IUPAC name of 2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline (CID 83966772) is 2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline.
What is the SMILES notation for 2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The canonical SMILES for 2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline is CC(C)COc1ccc(-c2nc3n(n2)CCCC3C)cc1N.
What is the InChIKey of 2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The InChIKey is SSMLLZRTIHRFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(2)10-22-15-7-6-13(9-14(15)18)16-19-17-12(3)5-4-8-21(17)20-16/h6-7,9,11-12H,4-5,8,10,18H2,1-3H3.
What are the key properties of 2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline has a molecular weight of 300.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline is sourced from PubChem (CID 83966772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).