3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid

C11H13N3O5 — CID 64889001

IUPAC3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCn1nc(C(=O)NC2(C(=O)O)CCOC2)ccc1=O
InChIInChI=1S/C11H13N3O5/c1-14-8(15)3-2-7(13-14)9(16)12-11(10(17)18)4-5-19-6-11/h2-3H,4-6H2,1H3,(H,12,16)(H,17,18)
InChIKeySYMRHLCZPSGQPJ-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.25
Rot. Bonds3

About 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid

3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 64889001) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID64889001
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCn1nc(C(=O)NC2(C(=O)O)CCOC2)ccc1=O
InChIInChI=1S/C11H13N3O5/c1-14-8(15)3-2-7(13-14)9(16)12-11(10(17)18)4-5-19-6-11/h2-3H,4-6H2,1H3,(H,12,16)(H,17,18)
InChIKeySYMRHLCZPSGQPJ-UHFFFAOYSA-N
XLogP-1.25
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid (CID 64889001) is 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid is Cn1nc(C(=O)NC2(C(=O)O)CCOC2)ccc1=O.
What is the InChIKey of 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is SYMRHLCZPSGQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-14-8(15)3-2-7(13-14)9(16)12-11(10(17)18)4-5-19-6-11/h2-3H,4-6H2,1H3,(H,12,16)(H,17,18).
What are the key properties of 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64889001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).