5-methoxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

C19H23N3O3 — CID 162688956

IUPAC5-methoxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCCCC(c1ccccc1)N1CN(C)C(=O)c2c(OC)c(=O)ccn21
InChIInChI=1S/C19H23N3O3/c1-4-8-15(14-9-6-5-7-10-14)22-13-20(2)19(24)17-18(25-3)16(23)11-12-21(17)22/h5-7,9-12,15H,4,8,13H2,1-3H3
InChIKeyIWSNGVOYJZNJLM-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.38
Rot. Bonds5

About 5-methoxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

5-methoxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 162688956) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-methoxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name5-methoxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID162688956
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name5-methoxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCCCC(c1ccccc1)N1CN(C)C(=O)c2c(OC)c(=O)ccn21
InChIInChI=1S/C19H23N3O3/c1-4-8-15(14-9-6-5-7-10-14)22-13-20(2)19(24)17-18(25-3)16(23)11-12-21(17)22/h5-7,9-12,15H,4,8,13H2,1-3H3
InChIKeyIWSNGVOYJZNJLM-UHFFFAOYSA-N
XLogP2.38
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 5-methoxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 162688956) is 5-methoxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 5-methoxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 5-methoxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is CCCC(c1ccccc1)N1CN(C)C(=O)c2c(OC)c(=O)ccn21.
What is the InChIKey of 5-methoxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is IWSNGVOYJZNJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-8-15(14-9-6-5-7-10-14)22-13-20(2)19(24)17-18(25-3)16(23)11-12-21(17)22/h5-7,9-12,15H,4,8,13H2,1-3H3.
What are the key properties of 5-methoxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
5-methoxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 341.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 162688956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).