5-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

C10H9N3O4 — CID 106548394

IUPAC5-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1cnn(Cc2cc(C(=O)O)no2)c(=O)c1
InChIInChI=1S/C10H9N3O4/c1-6-2-9(14)13(11-4-6)5-7-3-8(10(15)16)12-17-7/h2-4H,5H2,1H3,(H,15,16)
InChIKeyNMKARIPDKMKDFF-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.29
Rot. Bonds3

About 5-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

5-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 106548394) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 5-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID106548394
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name5-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1cnn(Cc2cc(C(=O)O)no2)c(=O)c1
InChIInChI=1S/C10H9N3O4/c1-6-2-9(14)13(11-4-6)5-7-3-8(10(15)16)12-17-7/h2-4H,5H2,1H3,(H,15,16)
InChIKeyNMKARIPDKMKDFF-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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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (CID 106548394) is 5-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is Cc1cnn(Cc2cc(C(=O)O)no2)c(=O)c1.
What is the InChIKey of 5-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is NMKARIPDKMKDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-6-2-9(14)13(11-4-6)5-7-3-8(10(15)16)12-17-7/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 5-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1,2-oxazole-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 5-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 106548394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).