2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride

C10H10ClN3O3 — CID 171630588

IUPAC2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride
SMILESCCn1nc(C(=O)O)c2cnccc2c1=O.Cl
InChIInChI=1S/C10H9N3O3.ClH/c1-2-13-9(14)6-3-4-11-5-7(6)8(12-13)10(15)16;/h3-5H,2H2,1H3,(H,15,16);1H
InChIKeyXOSCRCAKCOXDFE-UHFFFAOYSA-N
MW255.66 g/mol
LogP0.93
Rot. Bonds2

About 2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride

2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride (PubChem CID 171630588) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride
PubChem CID171630588
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride
SMILESCCn1nc(C(=O)O)c2cnccc2c1=O.Cl
InChIInChI=1S/C10H9N3O3.ClH/c1-2-13-9(14)6-3-4-11-5-7(6)8(12-13)10(15)16;/h3-5H,2H2,1H3,(H,15,16);1H
InChIKeyXOSCRCAKCOXDFE-UHFFFAOYSA-N
XLogP0.93
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride (CID 171630588) is 2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride is CCn1nc(C(=O)O)c2cnccc2c1=O.Cl.
What is the InChIKey of 2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride?
The InChIKey is XOSCRCAKCOXDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3.ClH/c1-2-13-9(14)6-3-4-11-5-7(6)8(12-13)10(15)16;/h3-5H,2H2,1H3,(H,15,16);1H.
What are the key properties of 2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride?
2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride has a molecular weight of 255.66 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 171630588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).