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

C25H27N3O3 — CID 67471695

IUPAC1-(1,3-diphenylpropyl)-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCC(C)N1CN(C(CCc2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
InChIInChI=1S/C25H27N3O3/c1-18(2)26-17-28(27-16-15-22(29)24(30)23(27)25(26)31)21(20-11-7-4-8-12-20)14-13-19-9-5-3-6-10-19/h3-12,15-16,18,21,30H,13-14,17H2,1-2H3
InChIKeyHMOCEOVRQWBWTQ-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.69
Rot. Bonds6

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

1-(1,3-diphenylpropyl)-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 67471695) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-(1,3-diphenylpropyl)-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name1-(1,3-diphenylpropyl)-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID67471695
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name1-(1,3-diphenylpropyl)-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCC(C)N1CN(C(CCc2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
InChIInChI=1S/C25H27N3O3/c1-18(2)26-17-28(27-16-15-22(29)24(30)23(27)25(26)31)21(20-11-7-4-8-12-20)14-13-19-9-5-3-6-10-19/h3-12,15-16,18,21,30H,13-14,17H2,1-2H3
InChIKeyHMOCEOVRQWBWTQ-UHFFFAOYSA-N
XLogP3.69
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;propane-2-thiol
CID 162689022
4-benzhydryl-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 77298139
5-hydroxy-3-propan-2-yl-1-[(2-thiophen-2-ylphenyl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 67471731
N-[2-(1-benzhydryl-5-hydroxy-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazin-3-yl)ethyl]methanesulfonamide
CID 70370125
5-methoxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 162688956
3-[(2S)-butan-2-yl]-1-[(R)-(3,4-difluoro-2-prop-2-enoxyphenyl)-phenylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 167283186
1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-5-hydroxy-3-[(1R)-2-hydroxy-1-phenylethyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 70368484
1-benzhydryl-6-hydroxy-3-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-b][1,2,5]triazepine-5,7-dione;hydrochloride
CID 175073152
5-hydroxy-1-(6-oxo-5,11-dihydrobenzo[c][1]benzazepin-11-yl)-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 70368494
1'-benzhydryl-3'-benzyl-5'-hydroxyspiro[cyclopentane-1,2'-pyrido[2,1-f][1,2,4]triazine]-4',6'-dione
CID 162372295
1-(5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 70368768
1-benzhydryl-5-methyl-3-(4-oxo-4-pyrrolidin-1-ylbutan-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 134384816

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diphenylpropyl)-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 1-(1,3-diphenylpropyl)-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 67471695) is 1-(1,3-diphenylpropyl)-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 1-(1,3-diphenylpropyl)-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 1-(1,3-diphenylpropyl)-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is CC(C)N1CN(C(CCc2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O.
What is the InChIKey of 1-(1,3-diphenylpropyl)-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is HMOCEOVRQWBWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-18(2)26-17-28(27-16-15-22(29)24(30)23(27)25(26)31)21(20-11-7-4-8-12-20)14-13-19-9-5-3-6-10-19/h3-12,15-16,18,21,30H,13-14,17H2,1-2H3.
What are the key properties of 1-(1,3-diphenylpropyl)-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
1-(1,3-diphenylpropyl)-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 417.51 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diphenylpropyl)-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 67471695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).