(1-pyridazin-3-ylpyrrolidin-2-yl)methanol

C9H13N3O — CID 62482647

IUPAC(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
SMILESOCC1CCCN1c1cccnn1
InChIInChI=1S/C9H13N3O/c13-7-8-3-2-6-12(8)9-4-1-5-10-11-9/h1,4-5,8,13H,2-3,6-7H2
InChIKeyHAMUORPSFSCZKB-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.44
Rot. Bonds2

About (1-pyridazin-3-ylpyrrolidin-2-yl)methanol

(1-pyridazin-3-ylpyrrolidin-2-yl)methanol (PubChem CID 62482647) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (1-pyridazin-3-ylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
PubChem CID62482647
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
SMILESOCC1CCCN1c1cccnn1
InChIInChI=1S/C9H13N3O/c13-7-8-3-2-6-12(8)9-4-1-5-10-11-9/h1,4-5,8,13H,2-3,6-7H2
InChIKeyHAMUORPSFSCZKB-UHFFFAOYSA-N
XLogP0.44
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine
CID 80668055
[(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol
CID 139491833
3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine
CID 80680463
[(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol;sulfane
CID 159631743
3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine
CID 57034400
[1-[3-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 61411243
2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
CID 95610324
(2R)-N,N-dimethyl-1-pyridazin-3-ylpyrrolidin-2-amine
CID 175192358
(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 95600206
2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide
CID 119890443
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 133281245
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947

Frequently Asked Questions

What is the IUPAC name of (1-pyridazin-3-ylpyrrolidin-2-yl)methanol?
The IUPAC name of (1-pyridazin-3-ylpyrrolidin-2-yl)methanol (CID 62482647) is (1-pyridazin-3-ylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-pyridazin-3-ylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1-pyridazin-3-ylpyrrolidin-2-yl)methanol is OCC1CCCN1c1cccnn1.
What is the InChIKey of (1-pyridazin-3-ylpyrrolidin-2-yl)methanol?
The InChIKey is HAMUORPSFSCZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-7-8-3-2-6-12(8)9-4-1-5-10-11-9/h1,4-5,8,13H,2-3,6-7H2.
What are the key properties of (1-pyridazin-3-ylpyrrolidin-2-yl)methanol?
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol has a molecular weight of 179.22 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridazin-3-ylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 62482647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).