3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid

C13H19N3O2 — CID 80517643

IUPAC3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid
SMILESCC1CCCCC1CNc1nnccc1C(=O)O
InChIInChI=1S/C13H19N3O2/c1-9-4-2-3-5-10(9)8-14-12-11(13(17)18)6-7-15-16-12/h6-7,9-10H,2-5,8H2,1H3,(H,14,16)(H,17,18)
InChIKeyUZRRFPLTRBGAMJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.41
Rot. Bonds4

About 3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid

3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid (PubChem CID 80517643) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid
PubChem CID80517643
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid
SMILESCC1CCCCC1CNc1nnccc1C(=O)O
InChIInChI=1S/C13H19N3O2/c1-9-4-2-3-5-10(9)8-14-12-11(13(17)18)6-7-15-16-12/h6-7,9-10H,2-5,8H2,1H3,(H,14,16)(H,17,18)
InChIKeyUZRRFPLTRBGAMJ-UHFFFAOYSA-N
XLogP2.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 63511863
3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
CID 80517570
3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80517843
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920
2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 63511718
3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid
CID 80517608
3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid
CID 80516830
4-methoxy-2-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 81303992
5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114047478
5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114034559
3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid
CID 114179237
2-amino-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 104500472

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid (CID 80517643) is 3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid is CC1CCCCC1CNc1nnccc1C(=O)O.
What is the InChIKey of 3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid?
The InChIKey is UZRRFPLTRBGAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-4-2-3-5-10(9)8-14-12-11(13(17)18)6-7-15-16-12/h6-7,9-10H,2-5,8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid?
3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).