3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid

C10H10F3N3O2 — CID 80516838

IUPAC3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)5-16(6-1-2-6)8-7(9(17)18)3-4-14-15-8/h3-4,6H,1-2,5H2,(H,17,18)
InChIKeyBPUXNSDPKURHLV-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.71
Rot. Bonds4

About 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid (PubChem CID 80516838) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
PubChem CID80516838
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)5-16(6-1-2-6)8-7(9(17)18)3-4-14-15-8/h3-4,6H,1-2,5H2,(H,17,18)
InChIKeyBPUXNSDPKURHLV-UHFFFAOYSA-N
XLogP1.71
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid (CID 80516838) is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1N(CC(F)(F)F)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid?
The InChIKey is BPUXNSDPKURHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c11-10(12,13)5-16(6-1-2-6)8-7(9(17)18)3-4-14-15-8/h3-4,6H,1-2,5H2,(H,17,18).
What are the key properties of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid?
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid has a molecular weight of 261.20 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80516838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).