N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C22H20N6O3 — CID 55855876

IUPACN-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ncn(Cc2ccccc2)n1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C22H20N6O3/c29-20-12-11-19(25-28(20)13-14-31-18-9-5-2-6-10-18)21(30)24-22-23-16-27(26-22)15-17-7-3-1-4-8-17/h1-12,16H,13-15H2,(H,24,26,30)
InChIKeyYOQRITGMZUAXRJ-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.21
Rot. Bonds8

About N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 55855876) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID55855876
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC NameN-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ncn(Cc2ccccc2)n1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C22H20N6O3/c29-20-12-11-19(25-28(20)13-14-31-18-9-5-2-6-10-18)21(30)24-22-23-16-27(26-22)15-17-7-3-1-4-8-17/h1-12,16H,13-15H2,(H,24,26,30)
InChIKeyYOQRITGMZUAXRJ-UHFFFAOYSA-N
XLogP2.21
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26012508
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
N-(2,5-dichlorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32615969
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
N-[4-(difluoromethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26738417
N-[4-(difluoromethylsulfanyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46595694
N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55985605
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-[2,4-di(propan-2-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46436516
N-[(3-butoxyphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55749505
N-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26719395

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 55855876) is N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is O=C(Nc1ncn(Cc2ccccc2)n1)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is YOQRITGMZUAXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c29-20-12-11-19(25-28(20)13-14-31-18-9-5-2-6-10-18)21(30)24-22-23-16-27(26-22)15-17-7-3-1-4-8-17/h1-12,16H,13-15H2,(H,24,26,30).
What are the key properties of N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 55855876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).