2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline

C16H18N4O2 — CID 83967051

IUPAC2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
SMILESCCOc1ccc(-c2nc3c(OCC)cccn3n2)cc1N
InChIInChI=1S/C16H18N4O2/c1-3-21-13-8-7-11(10-12(13)17)15-18-16-14(22-4-2)6-5-9-20(16)19-15/h5-10H,3-4,17H2,1-2H3
InChIKeyZQNWOSDJFVPVHH-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.78
Rot. Bonds5

About 2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline

2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline (PubChem CID 83967051) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline.

Molecular Properties

Compound Name2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
PubChem CID83967051
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
SMILESCCOc1ccc(-c2nc3c(OCC)cccn3n2)cc1N
InChIInChI=1S/C16H18N4O2/c1-3-21-13-8-7-11(10-12(13)17)15-18-16-14(22-4-2)6-5-9-20(16)19-15/h5-10H,3-4,17H2,1-2H3
InChIKeyZQNWOSDJFVPVHH-UHFFFAOYSA-N
XLogP2.78
TPSA74.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 83967055
2-ethoxy-5-(furan-3-yl)aniline
CID 165490107
5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline
CID 83967080
8-methoxy-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 117137886
5-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-2-ethoxyaniline
CID 84760144
5-[5-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethoxyaniline
CID 84761570
2-(3,4-dichlorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566300
2-(3-amino-4-propoxyphenyl)imidazo[1,2-a]pyridin-8-ol
CID 82059691
2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline
CID 61352261
2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
CID 82152397
4-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 83967082
2-ethoxy-5-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline
CID 79781757

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The IUPAC name of 2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline (CID 83967051) is 2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline.
What is the SMILES notation for 2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The canonical SMILES for 2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline is CCOc1ccc(-c2nc3c(OCC)cccn3n2)cc1N.
What is the InChIKey of 2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The InChIKey is ZQNWOSDJFVPVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-3-21-13-8-7-11(10-12(13)17)15-18-16-14(22-4-2)6-5-9-20(16)19-15/h5-10H,3-4,17H2,1-2H3.
What are the key properties of 2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline has a molecular weight of 298.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline is sourced from PubChem (CID 83967051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).