6-pyrazol-1-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one

C14H14N6O2S — CID 126940477

IUPAC6-pyrazol-1-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(-n2cccn2)nn1C1COCC1Nc1nccs1
InChIInChI=1S/C14H14N6O2S/c21-13-3-2-12(19-6-1-4-16-19)18-20(13)11-9-22-8-10(11)17-14-15-5-7-23-14/h1-7,10-11H,8-9H2,(H,15,17)
InChIKeyPNCJNDFNHCUPAE-UHFFFAOYSA-N
MW330.37 g/mol
LogP0.94
Rot. Bonds4

About 6-pyrazol-1-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one

6-pyrazol-1-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one (PubChem CID 126940477) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 6-pyrazol-1-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyrazol-1-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
PubChem CID126940477
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name6-pyrazol-1-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(-n2cccn2)nn1C1COCC1Nc1nccs1
InChIInChI=1S/C14H14N6O2S/c21-13-3-2-12(19-6-1-4-16-19)18-20(13)11-9-22-8-10(11)17-14-15-5-7-23-14/h1-7,10-11H,8-9H2,(H,15,17)
InChIKeyPNCJNDFNHCUPAE-UHFFFAOYSA-N
XLogP0.94
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 126940480
6-pyridin-3-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940106
2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 126940482
6-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126939911
N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide
CID 126940448
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 126940514
3,5-dimethyl-N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-1H-pyrazole-4-sulfonamide
CID 126940460
5-cyclopropyl-N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-1H-pyrazole-3-carboxamide
CID 126940449
N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126940457
6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940310
6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940172
2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126938713

Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 6-pyrazol-1-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one (CID 126940477) is 6-pyrazol-1-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-pyrazol-1-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-pyrazol-1-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one is O=c1ccc(-n2cccn2)nn1C1COCC1Nc1nccs1.
What is the InChIKey of 6-pyrazol-1-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one?
The InChIKey is PNCJNDFNHCUPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c21-13-3-2-12(19-6-1-4-16-19)18-20(13)11-9-22-8-10(11)17-14-15-5-7-23-14/h1-7,10-11H,8-9H2,(H,15,17).
What are the key properties of 6-pyrazol-1-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one?
6-pyrazol-1-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one has a molecular weight of 330.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126940477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).