6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid

C12H19N3O2 — CID 65041396

IUPAC6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid
SMILESCCC(CC)(CC)Nc1ccc(C(=O)O)nn1
InChIInChI=1S/C12H19N3O2/c1-4-12(5-2,6-3)13-10-8-7-9(11(16)17)14-15-10/h7-8H,4-6H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyUBTZXBIBIVVVLE-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.56
Rot. Bonds6

About 6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid

6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid (PubChem CID 65041396) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid
PubChem CID65041396
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid
SMILESCCC(CC)(CC)Nc1ccc(C(=O)O)nn1
InChIInChI=1S/C12H19N3O2/c1-4-12(5-2,6-3)13-10-8-7-9(11(16)17)14-15-10/h7-8H,4-6H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyUBTZXBIBIVVVLE-UHFFFAOYSA-N
XLogP2.56
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic acid
CID 115356492
2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid
CID 79807108
5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid
CID 114406825
6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid
CID 61464059
6-(2-hydroxyethylamino)pyridazine-3-carboxylic acid
CID 62487295
N,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide
CID 106329496
6-[2-[ethyl(methyl)amino]ethylamino]pyridazine-3-carboxylic acid
CID 62634269
6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid
CID 83176505
6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid
CID 62487995
6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
CID 54944511
6-(3-methylsulfanylpropylamino)pyridazine-3-carboxylic acid
CID 63959161
6-chloropyridazine-3-carboxylic acid;propane
CID 153337925

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid (CID 65041396) is 6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid is CCC(CC)(CC)Nc1ccc(C(=O)O)nn1.
What is the InChIKey of 6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid?
The InChIKey is UBTZXBIBIVVVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-12(5-2,6-3)13-10-8-7-9(11(16)17)14-15-10/h7-8H,4-6H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid?
6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 65041396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).