1-benzhydryl-5-hydroxy-3-(1-methoxybutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

C25H27N3O4 — CID 70368665

IUPAC1-benzhydryl-5-hydroxy-3-(1-methoxybutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCCC(COC)N1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
InChIInChI=1S/C25H27N3O4/c1-3-20(16-32-2)26-17-28(27-15-14-21(29)24(30)23(27)25(26)31)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,20,22,30H,3,16-17H2,1-2H3
InChIKeyRMFJXZVOUAGHBA-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.12
Rot. Bonds7

About 1-benzhydryl-5-hydroxy-3-(1-methoxybutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

1-benzhydryl-5-hydroxy-3-(1-methoxybutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 70368665) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-benzhydryl-5-hydroxy-3-(1-methoxybutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name1-benzhydryl-5-hydroxy-3-(1-methoxybutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID70368665
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name1-benzhydryl-5-hydroxy-3-(1-methoxybutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCCC(COC)N1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
InChIInChI=1S/C25H27N3O4/c1-3-20(16-32-2)26-17-28(27-15-14-21(29)24(30)23(27)25(26)31)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,20,22,30H,3,16-17H2,1-2H3
InChIKeyRMFJXZVOUAGHBA-UHFFFAOYSA-N
XLogP3.12
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-5-hydroxy-3-(1-methoxybutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 1-benzhydryl-5-hydroxy-3-(1-methoxybutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 70368665) is 1-benzhydryl-5-hydroxy-3-(1-methoxybutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 1-benzhydryl-5-hydroxy-3-(1-methoxybutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 1-benzhydryl-5-hydroxy-3-(1-methoxybutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is CCC(COC)N1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O.
What is the InChIKey of 1-benzhydryl-5-hydroxy-3-(1-methoxybutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is RMFJXZVOUAGHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-3-20(16-32-2)26-17-28(27-15-14-21(29)24(30)23(27)25(26)31)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,20,22,30H,3,16-17H2,1-2H3.
What are the key properties of 1-benzhydryl-5-hydroxy-3-(1-methoxybutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
1-benzhydryl-5-hydroxy-3-(1-methoxybutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 433.51 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-5-hydroxy-3-(1-methoxybutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 70368665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).