7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H12N4O — CID 82556371

IUPAC7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2ccn3nc(N)nc3c2)cc1
InChIInChI=1S/C13H12N4O/c1-18-11-4-2-9(3-5-11)10-6-7-17-12(8-10)15-13(14)16-17/h2-8H,1H3,(H2,14,16)
InChIKeyKNJFGQFWKWTXHQ-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.99
Rot. Bonds2

About 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82556371) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82556371
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2ccn3nc(N)nc3c2)cc1
InChIInChI=1S/C13H12N4O/c1-18-11-4-2-9(3-5-11)10-6-7-17-12(8-10)15-13(14)16-17/h2-8H,1H3,(H2,14,16)
InChIKeyKNJFGQFWKWTXHQ-UHFFFAOYSA-N
XLogP1.99
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82556371) is 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(-c2ccn3nc(N)nc3c2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is KNJFGQFWKWTXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-18-11-4-2-9(3-5-11)10-6-7-17-12(8-10)15-13(14)16-17/h2-8H,1H3,(H2,14,16).
What are the key properties of 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 240.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82556371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).