6-chloro-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridazine-4-carboxamide

C13H17ClF3N5O — CID 133486783

IUPAC6-chloro-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridazine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nnc1NCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H17ClF3N5O/c14-10-5-9(11(18)23)12(21-20-10)19-6-8-1-3-22(4-2-8)7-13(15,16)17/h5,8H,1-4,6-7H2,(H2,18,23)(H,19,21)
InChIKeyDZKYOAOWVYUUFO-UHFFFAOYSA-N
MW351.76 g/mol
LogP1.92
Rot. Bonds5

About 6-chloro-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridazine-4-carboxamide

6-chloro-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridazine-4-carboxamide (PubChem CID 133486783) has the molecular formula C13H17ClF3N5O and a molecular weight of 351.76 g/mol. Its IUPAC name is 6-chloro-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridazine-4-carboxamide
PubChem CID133486783
Molecular FormulaC13H17ClF3N5O
Molecular Weight351.76 g/mol
Exact Mass351.11
IUPAC Name6-chloro-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridazine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nnc1NCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H17ClF3N5O/c14-10-5-9(11(18)23)12(21-20-10)19-6-8-1-3-22(4-2-8)7-13(15,16)17/h5,8H,1-4,6-7H2,(H2,18,23)(H,19,21)
InChIKeyDZKYOAOWVYUUFO-UHFFFAOYSA-N
XLogP1.92
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridazine-4-carboxamide (CID 133486783) is 6-chloro-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridazine-4-carboxamide is NC(=O)c1cc(Cl)nnc1NCC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 6-chloro-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridazine-4-carboxamide?
The InChIKey is DZKYOAOWVYUUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N5O/c14-10-5-9(11(18)23)12(21-20-10)19-6-8-1-3-22(4-2-8)7-13(15,16)17/h5,8H,1-4,6-7H2,(H2,18,23)(H,19,21).
What are the key properties of 6-chloro-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridazine-4-carboxamide?
6-chloro-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridazine-4-carboxamide has a molecular weight of 351.76 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridazine-4-carboxamide is sourced from PubChem (CID 133486783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).