5-chloro-N-[4-methyl-6-[[6-(trifluoromethyl)pyridazin-3-yl]amino]hexyl]-2-(triazol-2-yl)benzamide

C21H23ClF3N7O — CID 123990626

IUPAC5-chloro-N-[4-methyl-6-[[6-(trifluoromethyl)pyridazin-3-yl]amino]hexyl]-2-(triazol-2-yl)benzamide
SMILESCC(CCCNC(=O)c1cc(Cl)ccc1-n1nccn1)CCNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C21H23ClF3N7O/c1-14(8-10-26-19-7-6-18(30-31-19)21(23,24)25)3-2-9-27-20(33)16-13-15(22)4-5-17(16)32-28-11-12-29-32/h4-7,11-14H,2-3,8-10H2,1H3,(H,26,31)(H,27,33)
InChIKeyZLVLZBGPNZIFOL-UHFFFAOYSA-N
MW481.91 g/mol
LogP4.38
Rot. Bonds10

About 5-chloro-N-[4-methyl-6-[[6-(trifluoromethyl)pyridazin-3-yl]amino]hexyl]-2-(triazol-2-yl)benzamide

5-chloro-N-[4-methyl-6-[[6-(trifluoromethyl)pyridazin-3-yl]amino]hexyl]-2-(triazol-2-yl)benzamide (PubChem CID 123990626) has the molecular formula C21H23ClF3N7O and a molecular weight of 481.91 g/mol. Its IUPAC name is 5-chloro-N-[4-methyl-6-[[6-(trifluoromethyl)pyridazin-3-yl]amino]hexyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[4-methyl-6-[[6-(trifluoromethyl)pyridazin-3-yl]amino]hexyl]-2-(triazol-2-yl)benzamide
PubChem CID123990626
Molecular FormulaC21H23ClF3N7O
Molecular Weight481.91 g/mol
Exact Mass481.16
IUPAC Name5-chloro-N-[4-methyl-6-[[6-(trifluoromethyl)pyridazin-3-yl]amino]hexyl]-2-(triazol-2-yl)benzamide
SMILESCC(CCCNC(=O)c1cc(Cl)ccc1-n1nccn1)CCNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C21H23ClF3N7O/c1-14(8-10-26-19-7-6-18(30-31-19)21(23,24)25)3-2-9-27-20(33)16-13-15(22)4-5-17(16)32-28-11-12-29-32/h4-7,11-14H,2-3,8-10H2,1H3,(H,26,31)(H,27,33)
InChIKeyZLVLZBGPNZIFOL-UHFFFAOYSA-N
XLogP4.38
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.91
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-chloro-N-[4-methyl-6-[[6-(trifluoromethyl)pyridazin-3-yl]amino]hexyl]-2-(triazol-2-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[6-[(5-chloropyrimidin-2-yl)amino]-4-methylhexyl]-2-fluoro-6-(triazol-2-yl)benzamide
CID 123162972
4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide
CID 133433473
5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide
CID 137473849
5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol
CID 107269138
5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide
CID 103861766
5-chloro-N-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-yl]benzamide
CID 118917698
N-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 113344350
2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide
CID 106157104
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylpentanoic acid
CID 104681937
2-bromo-4-chloro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862023
2,4-dichloro-N-(4-methylpentyl)benzamide
CID 3288141
N-(4-bromopentyl)-4-chloro-2-methylbenzamide
CID 106131582

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-methyl-6-[[6-(trifluoromethyl)pyridazin-3-yl]amino]hexyl]-2-(triazol-2-yl)benzamide?
The IUPAC name of 5-chloro-N-[4-methyl-6-[[6-(trifluoromethyl)pyridazin-3-yl]amino]hexyl]-2-(triazol-2-yl)benzamide (CID 123990626) is 5-chloro-N-[4-methyl-6-[[6-(trifluoromethyl)pyridazin-3-yl]amino]hexyl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[4-methyl-6-[[6-(trifluoromethyl)pyridazin-3-yl]amino]hexyl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for 5-chloro-N-[4-methyl-6-[[6-(trifluoromethyl)pyridazin-3-yl]amino]hexyl]-2-(triazol-2-yl)benzamide is CC(CCCNC(=O)c1cc(Cl)ccc1-n1nccn1)CCNc1ccc(C(F)(F)F)nn1.
What is the InChIKey of 5-chloro-N-[4-methyl-6-[[6-(trifluoromethyl)pyridazin-3-yl]amino]hexyl]-2-(triazol-2-yl)benzamide?
The InChIKey is ZLVLZBGPNZIFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF3N7O/c1-14(8-10-26-19-7-6-18(30-31-19)21(23,24)25)3-2-9-27-20(33)16-13-15(22)4-5-17(16)32-28-11-12-29-32/h4-7,11-14H,2-3,8-10H2,1H3,(H,26,31)(H,27,33).
What are the key properties of 5-chloro-N-[4-methyl-6-[[6-(trifluoromethyl)pyridazin-3-yl]amino]hexyl]-2-(triazol-2-yl)benzamide?
5-chloro-N-[4-methyl-6-[[6-(trifluoromethyl)pyridazin-3-yl]amino]hexyl]-2-(triazol-2-yl)benzamide has a molecular weight of 481.91 g/mol, XLogP of 4.38, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-methyl-6-[[6-(trifluoromethyl)pyridazin-3-yl]amino]hexyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 123990626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).