(8R)-4-hydroxy-6-methyl-8-[(S)-phenyl(pyrazol-1-yl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione

C18H17N5O3 — CID 122532549

IUPAC(8R)-4-hydroxy-6-methyl-8-[(S)-phenyl(pyrazol-1-yl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
SMILESCN1C[C@H]([C@H](c2ccccc2)n2cccn2)n2ncc(=O)c(O)c2C1=O
InChIInChI=1S/C18H17N5O3/c1-21-11-13(23-16(18(21)26)17(25)14(24)10-20-23)15(22-9-5-8-19-22)12-6-3-2-4-7-12/h2-10,13,15,25H,11H2,1H3/t13-,15+/m1/s1
InChIKeyUIAZUNSOMFRRFW-HIFRSBDPSA-N
MW351.37 g/mol
LogP1.06
Rot. Bonds3

About (8R)-4-hydroxy-6-methyl-8-[(S)-phenyl(pyrazol-1-yl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione

(8R)-4-hydroxy-6-methyl-8-[(S)-phenyl(pyrazol-1-yl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione (PubChem CID 122532549) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is (8R)-4-hydroxy-6-methyl-8-[(S)-phenyl(pyrazol-1-yl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione.

Molecular Properties

Compound Name(8R)-4-hydroxy-6-methyl-8-[(S)-phenyl(pyrazol-1-yl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
PubChem CID122532549
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name(8R)-4-hydroxy-6-methyl-8-[(S)-phenyl(pyrazol-1-yl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
SMILESCN1C[C@H]([C@H](c2ccccc2)n2cccn2)n2ncc(=O)c(O)c2C1=O
InChIInChI=1S/C18H17N5O3/c1-21-11-13(23-16(18(21)26)17(25)14(24)10-20-23)15(22-9-5-8-19-22)12-6-3-2-4-7-12/h2-10,13,15,25H,11H2,1H3/t13-,15+/m1/s1
InChIKeyUIAZUNSOMFRRFW-HIFRSBDPSA-N
XLogP1.06
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (8R)-4-hydroxy-6-methyl-8-[(S)-phenyl(pyrazol-1-yl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The IUPAC name of (8R)-4-hydroxy-6-methyl-8-[(S)-phenyl(pyrazol-1-yl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione (CID 122532549) is (8R)-4-hydroxy-6-methyl-8-[(S)-phenyl(pyrazol-1-yl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione.
What is the SMILES notation for (8R)-4-hydroxy-6-methyl-8-[(S)-phenyl(pyrazol-1-yl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The canonical SMILES for (8R)-4-hydroxy-6-methyl-8-[(S)-phenyl(pyrazol-1-yl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione is CN1C[C@H]([C@H](c2ccccc2)n2cccn2)n2ncc(=O)c(O)c2C1=O.
What is the InChIKey of (8R)-4-hydroxy-6-methyl-8-[(S)-phenyl(pyrazol-1-yl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The InChIKey is UIAZUNSOMFRRFW-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-21-11-13(23-16(18(21)26)17(25)14(24)10-20-23)15(22-9-5-8-19-22)12-6-3-2-4-7-12/h2-10,13,15,25H,11H2,1H3/t13-,15+/m1/s1.
What are the key properties of (8R)-4-hydroxy-6-methyl-8-[(S)-phenyl(pyrazol-1-yl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
(8R)-4-hydroxy-6-methyl-8-[(S)-phenyl(pyrazol-1-yl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione has a molecular weight of 351.37 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-4-hydroxy-6-methyl-8-[(S)-phenyl(pyrazol-1-yl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione is sourced from PubChem (CID 122532549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).