3-amino-6-tert-butylpyridazine-4-carboxylic acid

C9H13N3O2 — CID 83637373

IUPAC3-amino-6-tert-butylpyridazine-4-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)c(N)nn1
InChIInChI=1S/C9H13N3O2/c1-9(2,3)6-4-5(8(13)14)7(10)12-11-6/h4H,1-3H3,(H2,10,12)(H,13,14)
InChIKeyRUKSXPCHHHGSMH-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.05
Rot. Bonds1

About 3-amino-6-tert-butylpyridazine-4-carboxylic acid

3-amino-6-tert-butylpyridazine-4-carboxylic acid (PubChem CID 83637373) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-amino-6-tert-butylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-tert-butylpyridazine-4-carboxylic acid
PubChem CID83637373
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-amino-6-tert-butylpyridazine-4-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)c(N)nn1
InChIInChI=1S/C9H13N3O2/c1-9(2,3)6-4-5(8(13)14)7(10)12-11-6/h4H,1-3H3,(H2,10,12)(H,13,14)
InChIKeyRUKSXPCHHHGSMH-UHFFFAOYSA-N
XLogP1.05
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-3-methylpyridazine-4-carboxylic acid
CID 96623276
3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid
CID 121210143
2-tert-butyl-7-methylquinoline-4-carboxylic acid
CID 82184128
2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid
CID 141134718
6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid
CID 82184140
2-amino-5-tert-butylfuran-3-carboxylic acid
CID 83447291
3-amino-6-methylpyridazine-4-carboxamide
CID 6401352
3-amino-6-(4-chloroanilino)pyridazine-4-carboxylic acid
CID 117103121
5-tert-butylbenzene-1,3-dicarboxylic acid
CID 159495338
2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid
CID 113380129
2-amino-3-tert-butyl-5-chlorobenzoic acid
CID 142738161
3-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylbenzoic acid;hydrochloride
CID 69113717

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-tert-butylpyridazine-4-carboxylic acid?
The IUPAC name of 3-amino-6-tert-butylpyridazine-4-carboxylic acid (CID 83637373) is 3-amino-6-tert-butylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-amino-6-tert-butylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-amino-6-tert-butylpyridazine-4-carboxylic acid is CC(C)(C)c1cc(C(=O)O)c(N)nn1.
What is the InChIKey of 3-amino-6-tert-butylpyridazine-4-carboxylic acid?
The InChIKey is RUKSXPCHHHGSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-9(2,3)6-4-5(8(13)14)7(10)12-11-6/h4H,1-3H3,(H2,10,12)(H,13,14).
What are the key properties of 3-amino-6-tert-butylpyridazine-4-carboxylic acid?
3-amino-6-tert-butylpyridazine-4-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-tert-butylpyridazine-4-carboxylic acid is sourced from PubChem (CID 83637373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).