1-benzhydryl-5-hydroxy-3-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

C21H19N3O3 — CID 58067162

IUPAC1-benzhydryl-5-hydroxy-3-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCN1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
InChIInChI=1S/C21H19N3O3/c1-22-14-24(23-13-12-17(25)20(26)19(23)21(22)27)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18,26H,14H2,1H3
InChIKeyNBMFWEYZLYUTBG-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.32
Rot. Bonds3

About 1-benzhydryl-5-hydroxy-3-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

1-benzhydryl-5-hydroxy-3-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 58067162) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-benzhydryl-5-hydroxy-3-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name1-benzhydryl-5-hydroxy-3-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID58067162
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name1-benzhydryl-5-hydroxy-3-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCN1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
InChIInChI=1S/C21H19N3O3/c1-22-14-24(23-13-12-17(25)20(26)19(23)21(22)27)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18,26H,14H2,1H3
InChIKeyNBMFWEYZLYUTBG-UHFFFAOYSA-N
XLogP2.32
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-5-hydroxy-3-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 1-benzhydryl-5-hydroxy-3-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 58067162) is 1-benzhydryl-5-hydroxy-3-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 1-benzhydryl-5-hydroxy-3-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 1-benzhydryl-5-hydroxy-3-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is CN1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O.
What is the InChIKey of 1-benzhydryl-5-hydroxy-3-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is NBMFWEYZLYUTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-22-14-24(23-13-12-17(25)20(26)19(23)21(22)27)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18,26H,14H2,1H3.
What are the key properties of 1-benzhydryl-5-hydroxy-3-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
1-benzhydryl-5-hydroxy-3-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 361.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-5-hydroxy-3-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 58067162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).