1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridazine-3-carboxylic acid

C10H9N3O4 — CID 114696002

IUPAC1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridazine-3-carboxylic acid
SMILESCc1cc(Cn2nc(C(=O)O)ccc2=O)on1
InChIInChI=1S/C10H9N3O4/c1-6-4-7(17-12-6)5-13-9(14)3-2-8(11-13)10(15)16/h2-4H,5H2,1H3,(H,15,16)
InChIKeyWSBVHRBZWZASBJ-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.29
Rot. Bonds3

About 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridazine-3-carboxylic acid

1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridazine-3-carboxylic acid (PubChem CID 114696002) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridazine-3-carboxylic acid
PubChem CID114696002
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridazine-3-carboxylic acid
SMILESCc1cc(Cn2nc(C(=O)O)ccc2=O)on1
InChIInChI=1S/C10H9N3O4/c1-6-4-7(17-12-6)5-13-9(14)3-2-8(11-13)10(15)16/h2-4H,5H2,1H3,(H,15,16)
InChIKeyWSBVHRBZWZASBJ-UHFFFAOYSA-N
XLogP0.29
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxylic acid
CID 62060740
5-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 106548394
methanol;3-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2-oxazole;propan-2-one
CID 144865303
1-[(E)-3-chloroprop-2-enyl]-6-oxopyridazine-3-carboxylic acid
CID 114696003
1-nonyl-6-oxopyridazine-3-carboxylic acid
CID 114695797
6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid
CID 130170703
1-[(5-cyano-2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxylic acid
CID 114695839
1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-6-oxopyridazine-3-carboxylic acid
CID 114696129
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-oxopyridazine-3-carboxylic acid
CID 114695973
1-[(2-cyano-4-pyridinyl)methyl]-6-oxopyridazine-3-carboxylic acid
CID 114696058
1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-oxopyridazine-3-carboxylic acid
CID 106438934
1-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxopyridazine-3-carboxylic acid
CID 114695976

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridazine-3-carboxylic acid (CID 114696002) is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridazine-3-carboxylic acid is Cc1cc(Cn2nc(C(=O)O)ccc2=O)on1.
What is the InChIKey of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridazine-3-carboxylic acid?
The InChIKey is WSBVHRBZWZASBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-6-4-7(17-12-6)5-13-9(14)3-2-8(11-13)10(15)16/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridazine-3-carboxylic acid?
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridazine-3-carboxylic acid has a molecular weight of 235.20 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 114696002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).