2-[2-(naphthalen-1-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C18H16N4O — CID 43062966

IUPAC2-[2-(naphthalen-1-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCNc2cccc3ccccc23)nc2ccccn12
InChIInChI=1S/C18H16N4O/c23-18-21-12-4-3-10-17(21)20-22(18)13-11-19-16-9-5-7-14-6-1-2-8-15(14)16/h1-10,12,19H,11,13H2
InChIKeyOAOIBZGJCWVJMS-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.76
Rot. Bonds4

About 2-[2-(naphthalen-1-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(naphthalen-1-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43062966) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[2-(naphthalen-1-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(naphthalen-1-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43062966
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-[2-(naphthalen-1-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCNc2cccc3ccccc23)nc2ccccn12
InChIInChI=1S/C18H16N4O/c23-18-21-12-4-3-10-17(21)20-22(18)13-11-19-16-9-5-7-14-6-1-2-8-15(14)16/h1-10,12,19H,11,13H2
InChIKeyOAOIBZGJCWVJMS-UHFFFAOYSA-N
XLogP2.76
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(naphthalen-1-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(naphthalen-1-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43062966) is 2-[2-(naphthalen-1-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(naphthalen-1-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(naphthalen-1-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCNc2cccc3ccccc23)nc2ccccn12.
What is the InChIKey of 2-[2-(naphthalen-1-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is OAOIBZGJCWVJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18-21-12-4-3-10-17(21)20-22(18)13-11-19-16-9-5-7-14-6-1-2-8-15(14)16/h1-10,12,19H,11,13H2.
What are the key properties of 2-[2-(naphthalen-1-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(naphthalen-1-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 304.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(naphthalen-1-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43062966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).