2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C18H14N4 — CID 18313636

IUPAC2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNc1cc(-c2ccccc2)cc2nc(-c3ccccc3)nn12
InChIInChI=1S/C18H14N4/c19-16-11-15(13-7-3-1-4-8-13)12-17-20-18(21-22(16)17)14-9-5-2-6-10-14/h1-12H,19H2
InChIKeyAAONRMXGBSLTSG-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.65
Rot. Bonds2

About 2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 18313636) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID18313636
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNc1cc(-c2ccccc2)cc2nc(-c3ccccc3)nn12
InChIInChI=1S/C18H14N4/c19-16-11-15(13-7-3-1-4-8-13)12-17-20-18(21-22(16)17)14-9-5-2-6-10-14/h1-12H,19H2
InChIKeyAAONRMXGBSLTSG-UHFFFAOYSA-N
XLogP3.65
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 18313636) is 2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Nc1cc(-c2ccccc2)cc2nc(-c3ccccc3)nn12.
What is the InChIKey of 2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is AAONRMXGBSLTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c19-16-11-15(13-7-3-1-4-8-13)12-17-20-18(21-22(16)17)14-9-5-2-6-10-14/h1-12H,19H2.
What are the key properties of 2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 286.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 18313636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).