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

C9H14N4O — CID 139491833

IUPAC[(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol
SMILESOC[C@@H]1CNCCN1c1cccnn1
InChIInChI=1S/C9H14N4O/c14-7-8-6-10-4-5-13(8)9-2-1-3-11-12-9/h1-3,8,10,14H,4-7H2/t8-/m0/s1
InChIKeyUAPMPKOCCUXYOW-QMMMGPOBSA-N
MW194.24 g/mol
LogP-0.75
Rot. Bonds2

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

[(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol (PubChem CID 139491833) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is [(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol
PubChem CID139491833
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name[(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol
SMILESOC[C@@H]1CNCCN1c1cccnn1
InChIInChI=1S/C9H14N4O/c14-7-8-6-10-4-5-13(8)9-2-1-3-11-12-9/h1-3,8,10,14H,4-7H2/t8-/m0/s1
InChIKeyUAPMPKOCCUXYOW-QMMMGPOBSA-N
XLogP-0.75
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol;sulfane
CID 159631743
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
[(2R)-1-phenylpiperazin-2-yl]methanol
CID 139491913
3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine
CID 80668055
2-ethyl-1-pyridin-2-ylpiperazine
CID 63600435
[(2R)-1-(3,5-dimethyl-2-pyridinyl)piperazin-2-yl]methanol
CID 134494366
[(2S)-1-(3,4,5-trifluorophenyl)piperazin-2-yl]methanol
CID 134489710
[(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol
CID 138530480
3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide
CID 119890481
2-ethyl-1-(2-methyl-3-pyridinyl)piperazine
CID 79044286
3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine
CID 80680463
[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]methanol
CID 130626069

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol?
The IUPAC name of [(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol (CID 139491833) is [(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol?
The canonical SMILES for [(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol is OC[C@@H]1CNCCN1c1cccnn1.
What is the InChIKey of [(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol?
The InChIKey is UAPMPKOCCUXYOW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N4O/c14-7-8-6-10-4-5-13(8)9-2-1-3-11-12-9/h1-3,8,10,14H,4-7H2/t8-/m0/s1.
What are the key properties of [(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol?
[(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol has a molecular weight of 194.24 g/mol, XLogP of -0.75, 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 is sourced from PubChem (CID 139491833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).