4-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylic acid

C8H8N2O3 — CID 117127554

IUPAC4-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1c(C2CC2)cn[nH]c1=O
InChIInChI=1S/C8H8N2O3/c11-7-6(8(12)13)5(3-9-10-7)4-1-2-4/h3-4H,1-2H2,(H,10,11)(H,12,13)
InChIKeyCRFUGTJYPIGPFE-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.35
Rot. Bonds2

About 4-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylic acid

4-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylic acid (PubChem CID 117127554) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 4-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylic acid
PubChem CID117127554
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name4-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1c(C2CC2)cn[nH]c1=O
InChIInChI=1S/C8H8N2O3/c11-7-6(8(12)13)5(3-9-10-7)4-1-2-4/h3-4H,1-2H2,(H,10,11)(H,12,13)
InChIKeyCRFUGTJYPIGPFE-UHFFFAOYSA-N
XLogP0.35
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylic acid (CID 117127554) is 4-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylic acid is O=C(O)c1c(C2CC2)cn[nH]c1=O.
What is the InChIKey of 4-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylic acid?
The InChIKey is CRFUGTJYPIGPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-7-6(8(12)13)5(3-9-10-7)4-1-2-4/h3-4H,1-2H2,(H,10,11)(H,12,13).
What are the key properties of 4-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylic acid?
4-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylic acid is sourced from PubChem (CID 117127554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).