3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid

C11H15N3O2 — CID 80516594

IUPAC3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid
SMILESCC(C1CC1)N(C)c1nnccc1C(=O)O
InChIInChI=1S/C11H15N3O2/c1-7(8-3-4-8)14(2)10-9(11(15)16)5-6-12-13-10/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyBEMKSDSNXQKAHQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.41
Rot. Bonds4

About 3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid

3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid (PubChem CID 80516594) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid
PubChem CID80516594
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid
SMILESCC(C1CC1)N(C)c1nnccc1C(=O)O
InChIInChI=1S/C11H15N3O2/c1-7(8-3-4-8)14(2)10-9(11(15)16)5-6-12-13-10/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyBEMKSDSNXQKAHQ-UHFFFAOYSA-N
XLogP1.41
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[Methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid
CID 80516572
3-(3,3,3-Trifluoropropylamino)pyridazine-4-carboxylic acid
CID 80516666
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pyridazine-4-carboxylic acid
CID 80516720
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 80516815
3-[Ethyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 80516837
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 80516838
3-[Propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 80516865
3-[Methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 80516885
3-[3-(Trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid
CID 80517006
3-[4-(Trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid
CID 80517046
3-(2,2,2-Trifluoroethylamino)pyridazine-4-carboxylic acid
CID 80517660
3-(4,4,4-Trifluorobutan-2-ylamino)pyridazine-4-carboxylic acid
CID 105945677

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid (CID 80516594) is 3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid is CC(C1CC1)N(C)c1nnccc1C(=O)O.
What is the InChIKey of 3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid?
The InChIKey is BEMKSDSNXQKAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(8-3-4-8)14(2)10-9(11(15)16)5-6-12-13-10/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid?
3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80516594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).