2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid

C10H12N2O3 — CID 106548397

IUPAC2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid
SMILESCc1cnn(C(C(=O)O)C2CC2)c(=O)c1
InChIInChI=1S/C10H12N2O3/c1-6-4-8(13)12(11-5-6)9(10(14)15)7-2-3-7/h4-5,7,9H,2-3H2,1H3,(H,14,15)
InChIKeyRUJAUOPIBWLJTC-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.59
Rot. Bonds3

About 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid

2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid (PubChem CID 106548397) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid
PubChem CID106548397
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid
SMILESCc1cnn(C(C(=O)O)C2CC2)c(=O)c1
InChIInChI=1S/C10H12N2O3/c1-6-4-8(13)12(11-5-6)9(10(14)15)7-2-3-7/h4-5,7,9H,2-3H2,1H3,(H,14,15)
InChIKeyRUJAUOPIBWLJTC-UHFFFAOYSA-N
XLogP0.59
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-iodo-6-oxo-6H-pyridazin-1-yl)-4-methyl-pentanoic acid
CID 57919312
2-(4-Methyl-6-oxopyridazin-1-yl)butanoic acid
CID 66939422
2-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 69081059
4-Methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 143878452
(2S)-2-(3-chloro-4-methyl-6-oxopyridazin-1-yl)-4-methylpentanoic acid
CID 175588058
2-(3-Chloro-4-methyl-6-oxopyridazin-1-yl)-4-methylpentanoic acid
CID 175588061
4-Methyl-2-(6-oxopyridazin-1-yl)pentanoic acid
CID 175920254
2-Cyclopropyl-2-(6-oxopyridazin-1-yl)propanoic acid
CID 82237757
3-Methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106548391
4-(4-Methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106548395
Methyl 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 106548435
2-(4-Methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106548444

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid (CID 106548397) is 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid is Cc1cnn(C(C(=O)O)C2CC2)c(=O)c1.
What is the InChIKey of 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid?
The InChIKey is RUJAUOPIBWLJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-4-8(13)12(11-5-6)9(10(14)15)7-2-3-7/h4-5,7,9H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid?
2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid has a molecular weight of 208.22 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid is sourced from PubChem (CID 106548397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).