1-(3,6-dimethylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid

C13H17N3O3 — CID 102775344

IUPAC1-(3,6-dimethylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(C)C2C(=O)O)c(C)nn1
InChIInChI=1S/C13H17N3O3/c1-7-4-5-16(11(7)13(18)19)12(17)10-6-8(2)14-15-9(10)3/h6-7,11H,4-5H2,1-3H3,(H,18,19)
InChIKeySLPNPRASQFVTLR-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.03
Rot. Bonds2

About 1-(3,6-dimethylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid

1-(3,6-dimethylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102775344) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102775344
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(3,6-dimethylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(C)C2C(=O)O)c(C)nn1
InChIInChI=1S/C13H17N3O3/c1-7-4-5-16(11(7)13(18)19)12(17)10-6-8(2)14-15-9(10)3/h6-7,11H,4-5H2,1-3H3,(H,18,19)
InChIKeySLPNPRASQFVTLR-UHFFFAOYSA-N
XLogP1.03
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3,6-dimethylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid (CID 102775344) is 1-(3,6-dimethylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3,6-dimethylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3,6-dimethylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid is Cc1cc(C(=O)N2CCC(C)C2C(=O)O)c(C)nn1.
What is the InChIKey of 1-(3,6-dimethylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is SLPNPRASQFVTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-7-4-5-16(11(7)13(18)19)12(17)10-6-8(2)14-15-9(10)3/h6-7,11H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 1-(3,6-dimethylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(3,6-dimethylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102775344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).