6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxylic acid

C11H12N4O3 — CID 106373148

IUPAC6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxylic acid
SMILESCc1nc(CNc2ccc(C(=O)O)nn2)oc1C
InChIInChI=1S/C11H12N4O3/c1-6-7(2)18-10(13-6)5-12-9-4-3-8(11(16)17)14-15-9/h3-4H,5H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyYFDDRMGNYDXECO-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.39
Rot. Bonds4

About 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxylic acid

6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxylic acid (PubChem CID 106373148) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxylic acid
PubChem CID106373148
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxylic acid
SMILESCc1nc(CNc2ccc(C(=O)O)nn2)oc1C
InChIInChI=1S/C11H12N4O3/c1-6-7(2)18-10(13-6)5-12-9-4-3-8(11(16)17)14-15-9/h3-4H,5H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyYFDDRMGNYDXECO-UHFFFAOYSA-N
XLogP1.39
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxylic acid (CID 106373148) is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxylic acid is Cc1nc(CNc2ccc(C(=O)O)nn2)oc1C.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxylic acid?
The InChIKey is YFDDRMGNYDXECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-6-7(2)18-10(13-6)5-12-9-4-3-8(11(16)17)14-15-9/h3-4H,5H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxylic acid?
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 106373148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).