[(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol;sulfane

C9H16N4OS — CID 159631743

IUPAC[(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol;sulfane
SMILESOC[C@@H]1CNCCN1c1cccnn1.S
InChIInChI=1S/C9H14N4O.H2S/c14-7-8-6-10-4-5-13(8)9-2-1-3-11-12-9;/h1-3,8,10,14H,4-7H2;1H2/t8-;/m0./s1
InChIKeyMPFGCGGWMZJKDI-QRPNPIFTSA-N
MW228.32 g/mol
LogP-0.64
Rot. Bonds2

About [(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol;sulfane

[(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol;sulfane (PubChem CID 159631743) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is [(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol;sulfane.

Molecular Properties

Compound Name[(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol;sulfane
PubChem CID159631743
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name[(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol;sulfane
SMILESOC[C@@H]1CNCCN1c1cccnn1.S
InChIInChI=1S/C9H14N4O.H2S/c14-7-8-6-10-4-5-13(8)9-2-1-3-11-12-9;/h1-3,8,10,14H,4-7H2;1H2/t8-;/m0./s1
InChIKeyMPFGCGGWMZJKDI-QRPNPIFTSA-N
XLogP-0.64
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol;sulfane?
The IUPAC name of [(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol;sulfane (CID 159631743) is [(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol;sulfane.
What is the SMILES notation for [(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol;sulfane?
The canonical SMILES for [(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol;sulfane is OC[C@@H]1CNCCN1c1cccnn1.S.
What is the InChIKey of [(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol;sulfane?
The InChIKey is MPFGCGGWMZJKDI-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H14N4O.H2S/c14-7-8-6-10-4-5-13(8)9-2-1-3-11-12-9;/h1-3,8,10,14H,4-7H2;1H2/t8-;/m0./s1.
What are the key properties of [(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol;sulfane?
[(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol;sulfane has a molecular weight of 228.32 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol;sulfane is sourced from PubChem (CID 159631743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).