1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide

C17H17N5O2S — CID 35565819

IUPAC1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2nnc(-c3ccccc3)s2)ccc1=O
InChIInChI=1S/C17H17N5O2S/c1-2-3-11-22-14(23)10-9-13(21-22)15(24)18-17-20-19-16(25-17)12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3,(H,18,20,24)
InChIKeyQBKPGEWGUWRNIC-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.81
Rot. Bonds6

About 1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide

1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide (PubChem CID 35565819) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
PubChem CID35565819
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2nnc(-c3ccccc3)s2)ccc1=O
InChIInChI=1S/C17H17N5O2S/c1-2-3-11-22-14(23)10-9-13(21-22)15(24)18-17-20-19-16(25-17)12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3,(H,18,20,24)
InChIKeyQBKPGEWGUWRNIC-UHFFFAOYSA-N
XLogP2.81
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 18081137
6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide
CID 30730918
4-oxo-3-pentyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide
CID 60592484
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773
6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide
CID 30729881
1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 121066950
1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 2456827
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 134019234

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide (CID 35565819) is 1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2nnc(-c3ccccc3)s2)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide?
The InChIKey is QBKPGEWGUWRNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-2-3-11-22-14(23)10-9-13(21-22)15(24)18-17-20-19-16(25-17)12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3,(H,18,20,24).
What are the key properties of 1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide?
1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 35565819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).