1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide

C13H17N5O2S — CID 18081137

IUPAC1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2nnc(CC)s2)ccc1=O
InChIInChI=1S/C13H17N5O2S/c1-3-5-8-18-11(19)7-6-9(17-18)12(20)14-13-16-15-10(4-2)21-13/h6-7H,3-5,8H2,1-2H3,(H,14,16,20)
InChIKeyBONMAICWSHTPSX-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.71
Rot. Bonds6

About 1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 18081137) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide
PubChem CID18081137
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2nnc(CC)s2)ccc1=O
InChIInChI=1S/C13H17N5O2S/c1-3-5-8-18-11(19)7-6-9(17-18)12(20)14-13-16-15-10(4-2)21-13/h6-7H,3-5,8H2,1-2H3,(H,14,16,20)
InChIKeyBONMAICWSHTPSX-UHFFFAOYSA-N
XLogP1.71
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide
CID 30730918
1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 35565819
1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide
CID 24647725
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
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 30725741
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 55630949
1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161973
N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 51266108

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide (CID 18081137) is 1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2nnc(CC)s2)ccc1=O.
What is the InChIKey of 1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is BONMAICWSHTPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-3-5-8-18-11(19)7-6-9(17-18)12(20)14-13-16-15-10(4-2)21-13/h6-7H,3-5,8H2,1-2H3,(H,14,16,20).
What are the key properties of 1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 18081137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).