5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C19H15ClN4O — CID 59186392

IUPAC5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1Cl
InChIInChI=1S/C19H15ClN4O/c1-25-17-11-10-13(12-15(17)20)16-8-5-9-18-22-19(23-24(16)18)21-14-6-3-2-4-7-14/h2-12H,1H3,(H,21,23)
InChIKeyBAOKJVXACPNFIB-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.80
Rot. Bonds4

About 5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59186392) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59186392
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1Cl
InChIInChI=1S/C19H15ClN4O/c1-25-17-11-10-13(12-15(17)20)16-8-5-9-18-22-19(23-24(16)18)21-14-6-3-2-4-7-14/h2-12H,1H3,(H,21,23)
InChIKeyBAOKJVXACPNFIB-UHFFFAOYSA-N
XLogP4.80
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59186392) is 5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is BAOKJVXACPNFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-25-17-11-10-13(12-15(17)20)16-8-5-9-18-22-19(23-24(16)18)21-14-6-3-2-4-7-14/h2-12H,1H3,(H,21,23).
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 350.81 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59186392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).