N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide

C15H14ClF3N4O — CID 109109574

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
SMILESCC(C)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nn1
InChIInChI=1S/C15H14ClF3N4O/c1-8(2)20-13-6-5-12(22-23-13)14(24)21-11-4-3-9(16)7-10(11)15(17,18)19/h3-8H,1-2H3,(H,20,23)(H,21,24)
InChIKeyVGVCMJQXAHHSTQ-UHFFFAOYSA-N
MW358.75 g/mol
LogP4.22
Rot. Bonds4

About N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide (PubChem CID 109109574) has the molecular formula C15H14ClF3N4O and a molecular weight of 358.75 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
PubChem CID109109574
Molecular FormulaC15H14ClF3N4O
Molecular Weight358.75 g/mol
Exact Mass358.08
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
SMILESCC(C)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nn1
InChIInChI=1S/C15H14ClF3N4O/c1-8(2)20-13-6-5-12(22-23-13)14(24)21-11-4-3-9(16)7-10(11)15(17,18)19/h3-8H,1-2H3,(H,20,23)(H,21,24)
InChIKeyVGVCMJQXAHHSTQ-UHFFFAOYSA-N
XLogP4.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179811
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide
CID 110705369
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223532
N-[2-(2,4-dichlorophenyl)ethyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109484
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195266
6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151940
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109497
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide (CID 109109574) is N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide is CC(C)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nn1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide?
The InChIKey is VGVCMJQXAHHSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O/c1-8(2)20-13-6-5-12(22-23-13)14(24)21-11-4-3-9(16)7-10(11)15(17,18)19/h3-8H,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide has a molecular weight of 358.75 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109109574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).