2-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione

C16H15N3O2 — CID 13060393

IUPAC2-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
SMILESO=c1n(-c2cccc3ccccc23)c(=O)n2n1CCCC2
InChIInChI=1S/C16H15N3O2/c20-15-17-10-3-4-11-18(17)16(21)19(15)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9H,3-4,10-11H2
InChIKeyWNEHJHIVTKWPEV-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.75
Rot. Bonds1

About 2-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione

2-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione (PubChem CID 13060393) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione.

Molecular Properties

Compound Name2-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
PubChem CID13060393
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
SMILESO=c1n(-c2cccc3ccccc23)c(=O)n2n1CCCC2
InChIInChI=1S/C16H15N3O2/c20-15-17-10-3-4-11-18(17)16(21)19(15)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9H,3-4,10-11H2
InChIKeyWNEHJHIVTKWPEV-UHFFFAOYSA-N
XLogP1.75
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
The IUPAC name of 2-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione (CID 13060393) is 2-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione.
What is the SMILES notation for 2-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
The canonical SMILES for 2-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione is O=c1n(-c2cccc3ccccc23)c(=O)n2n1CCCC2.
What is the InChIKey of 2-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
The InChIKey is WNEHJHIVTKWPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15-17-10-3-4-11-18(17)16(21)19(15)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9H,3-4,10-11H2.
What are the key properties of 2-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
2-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione has a molecular weight of 281.31 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione is sourced from PubChem (CID 13060393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).