6-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

C12H15ClF3N3O — CID 61051088

IUPAC6-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C12H15ClF3N3O/c1-3-8(4-2)19(7-12(14,15)16)11(20)9-5-6-10(13)18-17-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyKIFFVYIQKQDMBP-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.32
Rot. Bonds5

About 6-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

6-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (PubChem CID 61051088) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 6-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
PubChem CID61051088
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name6-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C12H15ClF3N3O/c1-3-8(4-2)19(7-12(14,15)16)11(20)9-5-6-10(13)18-17-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyKIFFVYIQKQDMBP-UHFFFAOYSA-N
XLogP3.32
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (CID 61051088) is 6-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The InChIKey is KIFFVYIQKQDMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c1-3-8(4-2)19(7-12(14,15)16)11(20)9-5-6-10(13)18-17-9/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 6-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
6-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide has a molecular weight of 309.72 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 61051088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).