1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide

C13H16N4O2S — CID 18081125

IUPAC1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2nc(C)cs2)ccc1=O
InChIInChI=1S/C13H16N4O2S/c1-3-4-7-17-11(18)6-5-10(16-17)12(19)15-13-14-9(2)8-20-13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15,19)
InChIKeyWECQVBHWBZBNLG-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.06
Rot. Bonds5

About 1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 18081125) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide
PubChem CID18081125
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2nc(C)cs2)ccc1=O
InChIInChI=1S/C13H16N4O2S/c1-3-4-7-17-11(18)6-5-10(16-17)12(19)15-13-14-9(2)8-20-13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15,19)
InChIKeyWECQVBHWBZBNLG-UHFFFAOYSA-N
XLogP2.06
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide (CID 18081125) is 1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2nc(C)cs2)ccc1=O.
What is the InChIKey of 1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is WECQVBHWBZBNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-4-7-17-11(18)6-5-10(16-17)12(19)15-13-14-9(2)8-20-13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15,19).
What are the key properties of 1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 18081125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).