7-(2-ethylphenyl)-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C21H22N4 — CID 142047602

IUPAC7-(2-ethylphenyl)-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESC=C/C=C\C=C(/C)c1nc2cc(-c3ccccc3CC)cc(N)n2n1
InChIInChI=1S/C21H22N4/c1-4-6-7-10-15(3)21-23-20-14-17(13-19(22)25(20)24-21)18-12-9-8-11-16(18)5-2/h4,6-14H,1,5,22H2,2-3H3/b7-6-,15-10+
InChIKeyZYNDANJDHOPETF-GZJRMXIGSA-N
MW330.44 g/mol
LogP4.69
Rot. Bonds5

About 7-(2-ethylphenyl)-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine

7-(2-ethylphenyl)-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 142047602) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 7-(2-ethylphenyl)-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name7-(2-ethylphenyl)-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID142047602
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name7-(2-ethylphenyl)-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESC=C/C=C\C=C(/C)c1nc2cc(-c3ccccc3CC)cc(N)n2n1
InChIInChI=1S/C21H22N4/c1-4-6-7-10-15(3)21-23-20-14-17(13-19(22)25(20)24-21)18-12-9-8-11-16(18)5-2/h4,6-14H,1,5,22H2,2-3H3/b7-6-,15-10+
InChIKeyZYNDANJDHOPETF-GZJRMXIGSA-N
XLogP4.69
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethylphenyl)-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 7-(2-ethylphenyl)-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 142047602) is 7-(2-ethylphenyl)-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 7-(2-ethylphenyl)-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 7-(2-ethylphenyl)-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine is C=C/C=C\C=C(/C)c1nc2cc(-c3ccccc3CC)cc(N)n2n1.
What is the InChIKey of 7-(2-ethylphenyl)-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is ZYNDANJDHOPETF-GZJRMXIGSA-N. The full InChI is InChI=1S/C21H22N4/c1-4-6-7-10-15(3)21-23-20-14-17(13-19(22)25(20)24-21)18-12-9-8-11-16(18)5-2/h4,6-14H,1,5,22H2,2-3H3/b7-6-,15-10+.
What are the key properties of 7-(2-ethylphenyl)-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
7-(2-ethylphenyl)-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 330.44 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethylphenyl)-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 142047602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).