4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one

C10H11N3O2S — CID 106436529

IUPAC4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one
SMILESO=c1cc(NCC(O)c2ccsc2)cn[nH]1
InChIInChI=1S/C10H11N3O2S/c14-9(7-1-2-16-6-7)5-11-8-3-10(15)13-12-4-8/h1-4,6,9,14H,5H2,(H2,11,13,15)
InChIKeyZJSBVLUMFVZGEF-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.98
Rot. Bonds4

About 4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one

4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one (PubChem CID 106436529) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one
PubChem CID106436529
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one
SMILESO=c1cc(NCC(O)c2ccsc2)cn[nH]1
InChIInChI=1S/C10H11N3O2S/c14-9(7-1-2-16-6-7)5-11-8-3-10(15)13-12-4-8/h1-4,6,9,14H,5H2,(H2,11,13,15)
InChIKeyZJSBVLUMFVZGEF-UHFFFAOYSA-N
XLogP0.98
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one (CID 106436529) is 4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one is O=c1cc(NCC(O)c2ccsc2)cn[nH]1.
What is the InChIKey of 4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one?
The InChIKey is ZJSBVLUMFVZGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c14-9(7-1-2-16-6-7)5-11-8-3-10(15)13-12-4-8/h1-4,6,9,14H,5H2,(H2,11,13,15).
What are the key properties of 4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one?
4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one has a molecular weight of 237.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 106436529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).