5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline

C16H18N4O — CID 83966904

IUPAC5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline
SMILESCc1ccc2nc(-c3ccc(OC(C)C)c(N)c3)nn2c1
InChIInChI=1S/C16H18N4O/c1-10(2)21-14-6-5-12(8-13(14)17)16-18-15-7-4-11(3)9-20(15)19-16/h4-10H,17H2,1-3H3
InChIKeyYSJFXIVPLFZETB-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.07
Rot. Bonds3

About 5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline

5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline (PubChem CID 83966904) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline
PubChem CID83966904
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline
SMILESCc1ccc2nc(-c3ccc(OC(C)C)c(N)c3)nn2c1
InChIInChI=1S/C16H18N4O/c1-10(2)21-14-6-5-12(8-13(14)17)16-18-15-7-4-11(3)9-20(15)19-16/h4-10H,17H2,1-3H3
InChIKeyYSJFXIVPLFZETB-UHFFFAOYSA-N
XLogP3.07
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 82566376
2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566386
5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline
CID 83966941
2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566407
5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline
CID 82058683
4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127908
2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline
CID 131303852
2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307778
2,5-di(propan-2-yloxy)aniline
CID 18997718
5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline
CID 82144258
5-(2-methoxyphenyl)-2-propan-2-yloxyaniline
CID 164512499
3-amino-4-propan-2-yloxybenzenethiol
CID 155017605

Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline?
The IUPAC name of 5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline (CID 83966904) is 5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline.
What is the SMILES notation for 5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline?
The canonical SMILES for 5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline is Cc1ccc2nc(-c3ccc(OC(C)C)c(N)c3)nn2c1.
What is the InChIKey of 5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline?
The InChIKey is YSJFXIVPLFZETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10(2)21-14-6-5-12(8-13(14)17)16-18-15-7-4-11(3)9-20(15)19-16/h4-10H,17H2,1-3H3.
What are the key properties of 5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline?
5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline has a molecular weight of 282.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 83966904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).