3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine

C22H23N5O — CID 42602774

IUPAC3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
SMILESCCOc1ccc(-n2nnc3cc(NCc4ccc(CC)cc4)cnc32)cc1
InChIInChI=1S/C22H23N5O/c1-3-16-5-7-17(8-6-16)14-23-18-13-21-22(24-15-18)27(26-25-21)19-9-11-20(12-10-19)28-4-2/h5-13,15,23H,3-4,14H2,1-2H3
InChIKeyYUVGOUASBRZESW-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.39
Rot. Bonds7

About 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine

3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine (PubChem CID 42602774) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
PubChem CID42602774
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
SMILESCCOc1ccc(-n2nnc3cc(NCc4ccc(CC)cc4)cnc32)cc1
InChIInChI=1S/C22H23N5O/c1-3-16-5-7-17(8-6-16)14-23-18-13-21-22(24-15-18)27(26-25-21)19-9-11-20(12-10-19)28-4-2/h5-13,15,23H,3-4,14H2,1-2H3
InChIKeyYUVGOUASBRZESW-UHFFFAOYSA-N
XLogP4.39
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
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1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
2,4-Disubstituted Pyrimidine 2g
CID 5329420
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538789

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine?
The IUPAC name of 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine (CID 42602774) is 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine?
The canonical SMILES for 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine is CCOc1ccc(-n2nnc3cc(NCc4ccc(CC)cc4)cnc32)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine?
The InChIKey is YUVGOUASBRZESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-3-16-5-7-17(8-6-16)14-23-18-13-21-22(24-15-18)27(26-25-21)19-9-11-20(12-10-19)28-4-2/h5-13,15,23H,3-4,14H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine?
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine has a molecular weight of 373.46 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 42602774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).