1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C20H18FN7O2 — CID 56532758

IUPAC1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1nnnn1-c1ccc(F)c(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)c1
InChIInChI=1S/C20H18FN7O2/c1-13-23-25-26-28(13)15-7-8-16(21)18(11-15)22-20(30)17-9-10-19(29)27(24-17)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,22,30)
InChIKeyTZNRBSYPHZQSQE-UHFFFAOYSA-N
MW407.41 g/mol
LogP2.23
Rot. Bonds5

About 1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 56532758) has the molecular formula C20H18FN7O2 and a molecular weight of 407.41 g/mol. Its IUPAC name is 1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID56532758
Molecular FormulaC20H18FN7O2
Molecular Weight407.41 g/mol
Exact Mass407.15
IUPAC Name1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1nnnn1-c1ccc(F)c(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)c1
InChIInChI=1S/C20H18FN7O2/c1-13-23-25-26-28(13)15-7-8-16(21)18(11-15)22-20(30)17-9-10-19(29)27(24-17)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,22,30)
InChIKeyTZNRBSYPHZQSQE-UHFFFAOYSA-N
XLogP2.23
TPSA105.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate
CID 55801992
1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60555152
1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 56532719
1-[(4-fluorophenyl)methyl]-6-oxo-N-(2-propan-2-yloxyphenyl)-4,5-dihydropyridazine-3-carboxamide
CID 55777519
1-benzyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55754668
N-[1-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 56571805
1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55741614
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56532813
2-(2,4-dimethylphenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-5-methyltriazole-4-carboxamide
CID 56568386
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 154862613
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55741600
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 56571773

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 56532758) is 1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1nnnn1-c1ccc(F)c(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)c1.
What is the InChIKey of 1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is TZNRBSYPHZQSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O2/c1-13-23-25-26-28(13)15-7-8-16(21)18(11-15)22-20(30)17-9-10-19(29)27(24-17)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,22,30).
What are the key properties of 1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 407.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 56532758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).