1-(1,1-dioxothiolan-3-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C17H19N7O4S — CID 43055437

IUPAC1-(1,1-dioxothiolan-3-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cc(NC(=O)C2=NN(C3CCS(=O)(=O)C3)C(=O)CC2)ccc1-n1cnnn1
InChIInChI=1S/C17H19N7O4S/c1-11-8-12(2-4-15(11)23-10-18-21-22-23)19-17(26)14-3-5-16(25)24(20-14)13-6-7-29(27,28)9-13/h2,4,8,10,13H,3,5-7,9H2,1H3,(H,19,26)
InChIKeyKNQNGJHCSNKHFU-UHFFFAOYSA-N
MW417.45 g/mol
LogP0.07
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-(1,1-dioxothiolan-3-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 43055437) has the molecular formula C17H19N7O4S and a molecular weight of 417.45 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID43055437
Molecular FormulaC17H19N7O4S
Molecular Weight417.45 g/mol
Exact Mass417.12
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cc(NC(=O)C2=NN(C3CCS(=O)(=O)C3)C(=O)CC2)ccc1-n1cnnn1
InChIInChI=1S/C17H19N7O4S/c1-11-8-12(2-4-15(11)23-10-18-21-22-23)19-17(26)14-3-5-16(25)24(20-14)13-6-7-29(27,28)9-13/h2,4,8,10,13H,3,5-7,9H2,1H3,(H,19,26)
InChIKeyKNQNGJHCSNKHFU-UHFFFAOYSA-N
XLogP0.07
TPSA139.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17420346
1-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-iodophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25479676
N-(3-chloro-4-fluorophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25498808
1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-N-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 8762491
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46436817
N-(4-butylphenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17394957
N-[4-(dimethylsulfamoyl)phenyl]-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 42997131
1-(1,1-dioxothiolan-3-yl)-N-(6-methoxy-3-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4879009
1-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25391678
1-[(3R)-1,1-dioxothiolan-3-yl]-N-(9-ethylcarbazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 41093286
[2-(3,4-dimethylanilino)-2-oxoethyl] 1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 7677663
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(4-ethoxyphenoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30278526

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 43055437) is 1-(1,1-dioxothiolan-3-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1cc(NC(=O)C2=NN(C3CCS(=O)(=O)C3)C(=O)CC2)ccc1-n1cnnn1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is KNQNGJHCSNKHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O4S/c1-11-8-12(2-4-15(11)23-10-18-21-22-23)19-17(26)14-3-5-16(25)24(20-14)13-6-7-29(27,28)9-13/h2,4,8,10,13H,3,5-7,9H2,1H3,(H,19,26).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-(1,1-dioxothiolan-3-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 417.45 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 43055437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).