2-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione

C21H17N3O3 — CID 90036601

IUPAC2-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2cccc3ccccc23)nc1OCc1ccccc1
InChIInChI=1S/C21H17N3O3/c25-19-20(27-14-15-7-2-1-3-8-15)23-24(21(26)22-19)13-17-11-6-10-16-9-4-5-12-18(16)17/h1-12H,13-14H2,(H,22,25,26)
InChIKeyIBYJWWSXEHKTLR-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.71
Rot. Bonds5

About 2-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione

2-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione (PubChem CID 90036601) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione
PubChem CID90036601
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2cccc3ccccc23)nc1OCc1ccccc1
InChIInChI=1S/C21H17N3O3/c25-19-20(27-14-15-7-2-1-3-8-15)23-24(21(26)22-19)13-17-11-6-10-16-9-4-5-12-18(16)17/h1-12H,13-14H2,(H,22,25,26)
InChIKeyIBYJWWSXEHKTLR-UHFFFAOYSA-N
XLogP2.71
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione (CID 90036601) is 2-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione is O=c1[nH]c(=O)n(Cc2cccc3ccccc23)nc1OCc1ccccc1.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione?
The InChIKey is IBYJWWSXEHKTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-19-20(27-14-15-7-2-1-3-8-15)23-24(21(26)22-19)13-17-11-6-10-16-9-4-5-12-18(16)17/h1-12H,13-14H2,(H,22,25,26).
What are the key properties of 2-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione?
2-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione has a molecular weight of 359.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 90036601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).