6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one

C17H17N5O3S — CID 126939924

IUPAC6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one
SMILESCOc1cccc(-c2ccc(=O)n(C3COCC3Nc3cnsn3)n2)c1
InChIInChI=1S/C17H17N5O3S/c1-24-12-4-2-3-11(7-12)13-5-6-17(23)22(20-13)15-10-25-9-14(15)19-16-8-18-26-21-16/h2-8,14-15H,9-10H2,1H3,(H,19,21)
InChIKeyXMXKRZWYHQUUNQ-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.82
Rot. Bonds5

About 6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one

6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one (PubChem CID 126939924) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one
PubChem CID126939924
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one
SMILESCOc1cccc(-c2ccc(=O)n(C3COCC3Nc3cnsn3)n2)c1
InChIInChI=1S/C17H17N5O3S/c1-24-12-4-2-3-11(7-12)13-5-6-17(23)22(20-13)15-10-25-9-14(15)19-16-8-18-26-21-16/h2-8,14-15H,9-10H2,1H3,(H,19,21)
InChIKeyXMXKRZWYHQUUNQ-UHFFFAOYSA-N
XLogP1.82
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-(3-methoxyphenyl)-2-[4-[(1-methyl-6-oxopyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126940009
6-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126939911
6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126939969
2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 126939925
6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126939935
N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyrazine-2-carboxamide
CID 126939844
6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one
CID 126939964
2-[4-[(1-hydroxycyclohexyl)methylamino]oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 126940022
6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide
CID 126939877
7-methoxy-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126940029
2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 126940053
5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
CID 126940065

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one (CID 126939924) is 6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one is COc1cccc(-c2ccc(=O)n(C3COCC3Nc3cnsn3)n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one?
The InChIKey is XMXKRZWYHQUUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-24-12-4-2-3-11(7-12)13-5-6-17(23)22(20-13)15-10-25-9-14(15)19-16-8-18-26-21-16/h2-8,14-15H,9-10H2,1H3,(H,19,21).
What are the key properties of 6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one?
6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one has a molecular weight of 371.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126939924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).