2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride

C8H8ClN3O2 — CID 86775462

IUPAC2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride
SMILESCc1nc2cccnn2c1C(=O)O.Cl
InChIInChI=1S/C8H7N3O2.ClH/c1-5-7(8(12)13)11-6(10-5)3-2-4-9-11;/h2-4H,1H3,(H,12,13);1H
InChIKeyGNTNZGGVTJDHRN-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.16
Rot. Bonds1

About 2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride

2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride (PubChem CID 86775462) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride
PubChem CID86775462
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride
SMILESCc1nc2cccnn2c1C(=O)O.Cl
InChIInChI=1S/C8H7N3O2.ClH/c1-5-7(8(12)13)11-6(10-5)3-2-4-9-11;/h2-4H,1H3,(H,12,13);1H
InChIKeyGNTNZGGVTJDHRN-UHFFFAOYSA-N
XLogP1.16
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methylimidazo(1,2-b)pyridazine-3-carboxylic acid
CID 126820
Ethyl 3-iodoimidazo[1,2-b]pyridazine-2-carboxylate
CID 118863061
6-Chloroimidazo[1,2-b]pyridazine-2-carboxylic acid
CID 2794637
Imidazo(1,2-b)pyridazine-2-carboxylic acid
CID 10583132
Imidazo(1,2-b)pyridazine-3-carboxylic acid
CID 22024514
4-Methylpyrazolo(5,1-c)(1,2,4)triazine-3-carboxylic acid
CID 601277
Imidazo(1,2-b)pyridazine-2-carboxylic acid hydrochloride
CID 154878715
3-Bromoimidazo[1,2-b]pyridazine-2-carboxylic acid hydrochloride
CID 155822616
6-(2-(Trifluoromethyl)pyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 89515409
6-(3-Fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 89515414
(S)-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 89515437
6-(3-Fluoropiperidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 89515713

Frequently Asked Questions

What is the IUPAC name of 2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride (CID 86775462) is 2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride is Cc1nc2cccnn2c1C(=O)O.Cl.
What is the InChIKey of 2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride?
The InChIKey is GNTNZGGVTJDHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2.ClH/c1-5-7(8(12)13)11-6(10-5)3-2-4-9-11;/h2-4H,1H3,(H,12,13);1H.
What are the key properties of 2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride?
2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride has a molecular weight of 213.62 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 86775462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).