5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine

C21H24N4O — CID 42525848

IUPAC5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine
SMILESCCCO[C@@H]1CCCN(c2nncc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C21H24N4O/c1-2-12-26-19-8-5-11-25(15-19)21-23-20(14-22-24-21)18-10-9-16-6-3-4-7-17(16)13-18/h3-4,6-7,9-10,13-14,19H,2,5,8,11-12,15H2,1H3/t19-/m1/s1
InChIKeyFZPBVSXEPZUBTG-LJQANCHMSA-N
MW348.45 g/mol
LogP4.09
Rot. Bonds5

About 5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine

5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine (PubChem CID 42525848) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine.

Molecular Properties

Compound Name5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine
PubChem CID42525848
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine
SMILESCCCO[C@@H]1CCCN(c2nncc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C21H24N4O/c1-2-12-26-19-8-5-11-25(15-19)21-23-20(14-22-24-21)18-10-9-16-6-3-4-7-17(16)13-18/h3-4,6-7,9-10,13-14,19H,2,5,8,11-12,15H2,1H3/t19-/m1/s1
InChIKeyFZPBVSXEPZUBTG-LJQANCHMSA-N
XLogP4.09
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine?
The IUPAC name of 5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine (CID 42525848) is 5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine.
What is the SMILES notation for 5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine?
The canonical SMILES for 5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine is CCCO[C@@H]1CCCN(c2nncc(-c3ccc4ccccc4c3)n2)C1.
What is the InChIKey of 5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine?
The InChIKey is FZPBVSXEPZUBTG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N4O/c1-2-12-26-19-8-5-11-25(15-19)21-23-20(14-22-24-21)18-10-9-16-6-3-4-7-17(16)13-18/h3-4,6-7,9-10,13-14,19H,2,5,8,11-12,15H2,1H3/t19-/m1/s1.
What are the key properties of 5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine?
5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine has a molecular weight of 348.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-3-[(3R)-3-propoxypiperidin-1-yl]-1,2,4-triazine is sourced from PubChem (CID 42525848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).