5-amino-3-(thian-2-yl)-1H-pyridazin-6-one

C9H13N3OS — CID 117105848

IUPAC5-amino-3-(thian-2-yl)-1H-pyridazin-6-one
SMILESNc1cc(C2CCCCS2)n[nH]c1=O
InChIInChI=1S/C9H13N3OS/c10-6-5-7(11-12-9(6)13)8-3-1-2-4-14-8/h5,8H,1-4H2,(H2,10,11)(H,12,13)
InChIKeyYVESMTYYQJCNBF-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.31
Rot. Bonds1

About 5-amino-3-(thian-2-yl)-1H-pyridazin-6-one

5-amino-3-(thian-2-yl)-1H-pyridazin-6-one (PubChem CID 117105848) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-amino-3-(thian-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-3-(thian-2-yl)-1H-pyridazin-6-one
PubChem CID117105848
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name5-amino-3-(thian-2-yl)-1H-pyridazin-6-one
SMILESNc1cc(C2CCCCS2)n[nH]c1=O
InChIInChI=1S/C9H13N3OS/c10-6-5-7(11-12-9(6)13)8-3-1-2-4-14-8/h5,8H,1-4H2,(H2,10,11)(H,12,13)
InChIKeyYVESMTYYQJCNBF-UHFFFAOYSA-N
XLogP1.31
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-(thian-2-yl)-1H-pyridazin-6-one
CID 117105856
5-amino-3-cyclopentyl-1H-pyridazin-6-one
CID 117127183
5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one
CID 117105901
3-amino-5-(thiolan-2-yl)-1H-pyridin-2-one
CID 115020759
2-(thian-2-yl)-1H-pyrimidin-6-one
CID 80621116
6-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80636664
4-hydroxy-5-iodo-2-(thian-2-yl)-1H-pyrimidin-6-one
CID 80621561
3-(thian-2-yl)aniline
CID 105447669
4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine
CID 80636937
2-(thian-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941325
5-bromo-4-cyclopentyl-2-(thian-2-yl)-1H-pyrimidin-6-one
CID 136729636
5-propyl-3-(thian-2-yl)-1H-1,2,4-triazole
CID 80596502

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(thian-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-amino-3-(thian-2-yl)-1H-pyridazin-6-one (CID 117105848) is 5-amino-3-(thian-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-3-(thian-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-3-(thian-2-yl)-1H-pyridazin-6-one is Nc1cc(C2CCCCS2)n[nH]c1=O.
What is the InChIKey of 5-amino-3-(thian-2-yl)-1H-pyridazin-6-one?
The InChIKey is YVESMTYYQJCNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c10-6-5-7(11-12-9(6)13)8-3-1-2-4-14-8/h5,8H,1-4H2,(H2,10,11)(H,12,13).
What are the key properties of 5-amino-3-(thian-2-yl)-1H-pyridazin-6-one?
5-amino-3-(thian-2-yl)-1H-pyridazin-6-one has a molecular weight of 211.29 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(thian-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 117105848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).