7-[hydroxy(methoxy)methyl]-3-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

C17H19N3O5 — CID 156560645

IUPAC7-[hydroxy(methoxy)methyl]-3-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCOC(O)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N(C)CN2
InChIInChI=1S/C17H19N3O5/c1-19-10-18-20-8-12(17(23)24-2)14(21)15(13(20)16(19)22)25-9-11-6-4-3-5-7-11/h3-8,17-18,23H,9-10H2,1-2H3
InChIKeyARLIHGJKKQEFEF-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.65
Rot. Bonds5

About 7-[hydroxy(methoxy)methyl]-3-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

7-[hydroxy(methoxy)methyl]-3-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 156560645) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 7-[hydroxy(methoxy)methyl]-3-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name7-[hydroxy(methoxy)methyl]-3-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID156560645
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name7-[hydroxy(methoxy)methyl]-3-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCOC(O)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N(C)CN2
InChIInChI=1S/C17H19N3O5/c1-19-10-18-20-8-12(17(23)24-2)14(21)15(13(20)16(19)22)25-9-11-6-4-3-5-7-11/h3-8,17-18,23H,9-10H2,1-2H3
InChIKeyARLIHGJKKQEFEF-UHFFFAOYSA-N
XLogP0.65
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[hydroxy(methoxy)methyl]-3-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 7-[hydroxy(methoxy)methyl]-3-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 156560645) is 7-[hydroxy(methoxy)methyl]-3-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 7-[hydroxy(methoxy)methyl]-3-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 7-[hydroxy(methoxy)methyl]-3-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is COC(O)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N(C)CN2.
What is the InChIKey of 7-[hydroxy(methoxy)methyl]-3-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is ARLIHGJKKQEFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-19-10-18-20-8-12(17(23)24-2)14(21)15(13(20)16(19)22)25-9-11-6-4-3-5-7-11/h3-8,17-18,23H,9-10H2,1-2H3.
What are the key properties of 7-[hydroxy(methoxy)methyl]-3-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
7-[hydroxy(methoxy)methyl]-3-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 345.36 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[hydroxy(methoxy)methyl]-3-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 156560645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).