1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol

C12H14N4O — CID 116972898

IUPAC1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccc(-c3ccc[nH]3)nn2)C1
InChIInChI=1S/C12H14N4O/c17-9-5-7-16(8-9)12-4-3-11(14-15-12)10-2-1-6-13-10/h1-4,6,9,13,17H,5,7-8H2
InChIKeyYAGQMOOYZSKWNB-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.04
Rot. Bonds2

About 1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol

1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol (PubChem CID 116972898) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol
PubChem CID116972898
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccc(-c3ccc[nH]3)nn2)C1
InChIInChI=1S/C12H14N4O/c17-9-5-7-16(8-9)12-4-3-11(14-15-12)10-2-1-6-13-10/h1-4,6,9,13,17H,5,7-8H2
InChIKeyYAGQMOOYZSKWNB-UHFFFAOYSA-N
XLogP1.04
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770273
1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770780
1-[6-(2-chlorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 3022107
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
3,6-bis(1H-pyrrol-2-yl)pyridazine
CID 102440417
1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770770
1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-3-ol
CID 116972911
1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol
CID 116972807
1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol
CID 56770286
1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol
CID 56770757
(3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol
CID 162633912
1-[6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridazin-3-yl]piperidin-4-ol
CID 56770295

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol (CID 116972898) is 1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol is OC1CCN(c2ccc(-c3ccc[nH]3)nn2)C1.
What is the InChIKey of 1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol?
The InChIKey is YAGQMOOYZSKWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-9-5-7-16(8-9)12-4-3-11(14-15-12)10-2-1-6-13-10/h1-4,6,9,13,17H,5,7-8H2.
What are the key properties of 1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol?
1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol has a molecular weight of 230.27 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol is sourced from PubChem (CID 116972898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).