6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile

C15H16N4OS — CID 133418922

IUPAC6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC2CC(O)c2cccs2)nn1
InChIInChI=1S/C15H16N4OS/c16-10-11-5-6-15(18-17-11)19-7-1-3-12(19)9-13(20)14-4-2-8-21-14/h2,4-6,8,12-13,20H,1,3,7,9H2
InChIKeyKSEMVFSXUKKNML-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.50
Rot. Bonds4

About 6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile

6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile (PubChem CID 133418922) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile
PubChem CID133418922
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC2CC(O)c2cccs2)nn1
InChIInChI=1S/C15H16N4OS/c16-10-11-5-6-15(18-17-11)19-7-1-3-12(19)9-13(20)14-4-2-8-21-14/h2,4-6,8,12-13,20H,1,3,7,9H2
InChIKeyKSEMVFSXUKKNML-UHFFFAOYSA-N
XLogP2.50
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 133421655
5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile
CID 133485968
6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carbonitrile
CID 133420369
3-chloro-6-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyridine-2-carbonitrile
CID 133347824
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 111858547
2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol
CID 111858444
1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol
CID 133419303
1-[(2S)-2-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 124615927
1-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 122137801
(1S)-2-[(2R)-1-[(6-methoxypyridazin-3-yl)methyl]pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 125142004
2-[1-(2-propan-2-yloxyethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 111858445
4-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]butanoic acid
CID 119149321

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile (CID 133418922) is 6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile is N#Cc1ccc(N2CCCC2CC(O)c2cccs2)nn1.
What is the InChIKey of 6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is KSEMVFSXUKKNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c16-10-11-5-6-15(18-17-11)19-7-1-3-12(19)9-13(20)14-4-2-8-21-14/h2,4-6,8,12-13,20H,1,3,7,9H2.
What are the key properties of 6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile?
6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 300.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133418922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).