8-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-7-carboxylic acid

C14H18N4O2 — CID 67966561

IUPAC8-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-7-carboxylic acid
SMILESCC1CCCCC1Nc1c(C(=O)O)cnn2ccnc12
InChIInChI=1S/C14H18N4O2/c1-9-4-2-3-5-11(9)17-12-10(14(19)20)8-16-18-7-6-15-13(12)18/h6-9,11,17H,2-5H2,1H3,(H,19,20)
InChIKeyNWTXGENMXGNTGX-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.42
Rot. Bonds3

About 8-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-7-carboxylic acid

8-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-7-carboxylic acid (PubChem CID 67966561) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 8-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-7-carboxylic acid.

Molecular Properties

Compound Name8-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-7-carboxylic acid
PubChem CID67966561
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name8-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-7-carboxylic acid
SMILESCC1CCCCC1Nc1c(C(=O)O)cnn2ccnc12
InChIInChI=1S/C14H18N4O2/c1-9-4-2-3-5-11(9)17-12-10(14(19)20)8-16-18-7-6-15-13(12)18/h6-9,11,17H,2-5H2,1H3,(H,19,20)
InChIKeyNWTXGENMXGNTGX-UHFFFAOYSA-N
XLogP2.42
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-isocyano-N-(2-methylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine
CID 88534723
8-[(2-methylcyclohexyl)amino]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide
CID 67965583
1,3-dimethyl-4-[(2-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937632
6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 50914486
N-methyl-N-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 47160097
5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 146598719
3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80517843
7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 67965614
4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid
CID 83181541
5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114919638
1-methyl-N-(2-methylcyclohexyl)imidazol-2-amine
CID 62132741
[5-[4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazin-3-yl]-1,2,4-oxadiazol-3-yl]methanol
CID 50914913

Frequently Asked Questions

What is the IUPAC name of 8-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-7-carboxylic acid?
The IUPAC name of 8-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-7-carboxylic acid (CID 67966561) is 8-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-7-carboxylic acid.
What is the SMILES notation for 8-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-7-carboxylic acid?
The canonical SMILES for 8-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-7-carboxylic acid is CC1CCCCC1Nc1c(C(=O)O)cnn2ccnc12.
What is the InChIKey of 8-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-7-carboxylic acid?
The InChIKey is NWTXGENMXGNTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-4-2-3-5-11(9)17-12-10(14(19)20)8-16-18-7-6-15-13(12)18/h6-9,11,17H,2-5H2,1H3,(H,19,20).
What are the key properties of 8-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-7-carboxylic acid?
8-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-7-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-7-carboxylic acid is sourced from PubChem (CID 67966561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).