3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid

C12H19N3O2 — CID 55108036

IUPAC3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCCCN(CC)c1nnc(C)c(C)c1C(=O)O
InChIInChI=1S/C12H19N3O2/c1-5-7-15(6-2)11-10(12(16)17)8(3)9(4)13-14-11/h5-7H2,1-4H3,(H,16,17)
InChIKeyBWHQRXXDNBIUDX-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.03
Rot. Bonds5

About 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid

3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 55108036) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID55108036
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCCCN(CC)c1nnc(C)c(C)c1C(=O)O
InChIInChI=1S/C12H19N3O2/c1-5-7-15(6-2)11-10(12(16)17)8(3)9(4)13-14-11/h5-7H2,1-4H3,(H,16,17)
InChIKeyBWHQRXXDNBIUDX-UHFFFAOYSA-N
XLogP2.03
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid (CID 55108036) is 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid is CCCN(CC)c1nnc(C)c(C)c1C(=O)O.
What is the InChIKey of 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is BWHQRXXDNBIUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-7-15(6-2)11-10(12(16)17)8(3)9(4)13-14-11/h5-7H2,1-4H3,(H,16,17).
What are the key properties of 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 55108036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).