3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid

C10H13N3O2 — CID 124512624

IUPAC3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid
SMILESCC1(C)C[C@@H]1Nc1nnccc1C(=O)O
InChIInChI=1S/C10H13N3O2/c1-10(2)5-7(10)12-8-6(9(14)15)3-4-11-13-8/h3-4,7H,5H2,1-2H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyYEFDLKWHOIZCGT-ZETCQYMHSA-N
MW207.23 g/mol
LogP1.39
Rot. Bonds3

About 3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid

3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid (PubChem CID 124512624) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid
PubChem CID124512624
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid
SMILESCC1(C)C[C@@H]1Nc1nnccc1C(=O)O
InChIInChI=1S/C10H13N3O2/c1-10(2)5-7(10)12-8-6(9(14)15)3-4-11-13-8/h3-4,7H,5H2,1-2H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyYEFDLKWHOIZCGT-ZETCQYMHSA-N
XLogP1.39
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80517843
3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid
CID 62710998
3-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridazine-4-carboxylic acid
CID 80517876
3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid
CID 80517888
3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid
CID 114179237
3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80516623
3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid
CID 80517927
3-[(2,2-dimethylcyclohexyl)amino]pyridazine-4-carbothioamide
CID 80511658
3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid
CID 103464876
3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid
CID 80516950
3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
CID 80517570
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid
CID 104765960

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid (CID 124512624) is 3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid is CC1(C)C[C@@H]1Nc1nnccc1C(=O)O.
What is the InChIKey of 3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid?
The InChIKey is YEFDLKWHOIZCGT-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-10(2)5-7(10)12-8-6(9(14)15)3-4-11-13-8/h3-4,7H,5H2,1-2H3,(H,12,13)(H,14,15)/t7-/m0/s1.
What are the key properties of 3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid?
3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 124512624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).