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

C14H11ClN6O — CID 71805115

IUPACN-(3-chloro-4-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-n3cncn3)nn2)cc1Cl
InChIInChI=1S/C14H11ClN6O/c1-9-2-3-10(6-11(9)15)18-14(22)12-4-5-13(20-19-12)21-8-16-7-17-21/h2-8H,1H3,(H,18,22)
InChIKeyUEVWKPGCLXGQHD-UHFFFAOYSA-N
MW314.74 g/mol
LogP2.27
Rot. Bonds3

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

N-(3-chloro-4-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (PubChem CID 71805115) has the molecular formula C14H11ClN6O and a molecular weight of 314.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
PubChem CID71805115
Molecular FormulaC14H11ClN6O
Molecular Weight314.74 g/mol
Exact Mass314.07
IUPAC NameN-(3-chloro-4-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-n3cncn3)nn2)cc1Cl
InChIInChI=1S/C14H11ClN6O/c1-9-2-3-10(6-11(9)15)18-14(22)12-4-5-13(20-19-12)21-8-16-7-17-21/h2-8H,1H3,(H,18,22)
InChIKeyUEVWKPGCLXGQHD-UHFFFAOYSA-N
XLogP2.27
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805109
N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805129
N-(9H-fluoren-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805137
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116865
N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805184
N-(3-chloro-4-methylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 26719851
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805108
N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114084
N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110859280
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805133
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778546

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (CID 71805115) is N-(3-chloro-4-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(-n3cncn3)nn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is UEVWKPGCLXGQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6O/c1-9-2-3-10(6-11(9)15)18-14(22)12-4-5-13(20-19-12)21-8-16-7-17-21/h2-8H,1H3,(H,18,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 314.74 g/mol, XLogP of 2.27, 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-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 71805115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).