N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

C13H8ClFN6O — CID 71805109

IUPACN-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C13H8ClFN6O/c14-9-5-8(1-2-10(9)15)18-13(22)11-3-4-12(20-19-11)21-7-16-6-17-21/h1-7H,(H,18,22)
InChIKeyWAMCNDBHRASRFS-UHFFFAOYSA-N
MW318.70 g/mol
LogP2.10
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (PubChem CID 71805109) has the molecular formula C13H8ClFN6O and a molecular weight of 318.70 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
PubChem CID71805109
Molecular FormulaC13H8ClFN6O
Molecular Weight318.70 g/mol
Exact Mass318.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C13H8ClFN6O/c14-9-5-8(1-2-10(9)15)18-13(22)11-3-4-12(20-19-11)21-7-16-6-17-21/h1-7H,(H,18,22)
InChIKeyWAMCNDBHRASRFS-UHFFFAOYSA-N
XLogP2.10
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.70
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805115
N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778476
N-(9H-fluoren-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805137
N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805129
N-(3-chloro-4-fluorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123541
2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 47049176
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805108
N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805184
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674
N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805133
N-(3-chloro-4-fluorophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111081
N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 154751807

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (CID 71805109) is N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-n2cncn2)nn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is WAMCNDBHRASRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN6O/c14-9-5-8(1-2-10(9)15)18-13(22)11-3-4-12(20-19-11)21-7-16-6-17-21/h1-7H,(H,18,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 318.70 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 71805109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).