1-ethyl-5-hydroxy-7-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

C13H16F3N3O3 — CID 130310688

IUPAC1-ethyl-5-hydroxy-7-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCCN1CN([C@H](C)C(F)(F)F)C(=O)c2c(O)c(=O)c(C)cn21
InChIInChI=1S/C13H16F3N3O3/c1-4-17-6-18(8(3)13(14,15)16)12(22)9-11(21)10(20)7(2)5-19(9)17/h5,8,21H,4,6H2,1-3H3/t8-/m1/s1
InChIKeyHBXZMWZJFVIOEK-MRVPVSSYSA-N
MW319.28 g/mol
LogP1.18
Rot. Bonds2

About 1-ethyl-5-hydroxy-7-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

1-ethyl-5-hydroxy-7-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 130310688) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is 1-ethyl-5-hydroxy-7-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name1-ethyl-5-hydroxy-7-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID130310688
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC Name1-ethyl-5-hydroxy-7-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCCN1CN([C@H](C)C(F)(F)F)C(=O)c2c(O)c(=O)c(C)cn21
InChIInChI=1S/C13H16F3N3O3/c1-4-17-6-18(8(3)13(14,15)16)12(22)9-11(21)10(20)7(2)5-19(9)17/h5,8,21H,4,6H2,1-3H3/t8-/m1/s1
InChIKeyHBXZMWZJFVIOEK-MRVPVSSYSA-N
XLogP1.18
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-hydroxy-7-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 1-ethyl-5-hydroxy-7-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 130310688) is 1-ethyl-5-hydroxy-7-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 1-ethyl-5-hydroxy-7-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 1-ethyl-5-hydroxy-7-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is CCN1CN([C@H](C)C(F)(F)F)C(=O)c2c(O)c(=O)c(C)cn21.
What is the InChIKey of 1-ethyl-5-hydroxy-7-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is HBXZMWZJFVIOEK-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-4-17-6-18(8(3)13(14,15)16)12(22)9-11(21)10(20)7(2)5-19(9)17/h5,8,21H,4,6H2,1-3H3/t8-/m1/s1.
What are the key properties of 1-ethyl-5-hydroxy-7-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
1-ethyl-5-hydroxy-7-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 319.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-hydroxy-7-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 130310688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).