3-ethynyl-6-pyrrolidin-1-ylpyridazine

C10H11N3 — CID 89272201

IUPAC3-ethynyl-6-pyrrolidin-1-ylpyridazine
SMILESC#Cc1ccc(N2CCCC2)nn1
InChIInChI=1S/C10H11N3/c1-2-9-5-6-10(12-11-9)13-7-3-4-8-13/h1,5-6H,3-4,7-8H2
InChIKeyYMIWHBTUAPRKTL-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.06
Rot. Bonds1

About 3-ethynyl-6-pyrrolidin-1-ylpyridazine

3-ethynyl-6-pyrrolidin-1-ylpyridazine (PubChem CID 89272201) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-ethynyl-6-pyrrolidin-1-ylpyridazine.

Molecular Properties

Compound Name3-ethynyl-6-pyrrolidin-1-ylpyridazine
PubChem CID89272201
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name3-ethynyl-6-pyrrolidin-1-ylpyridazine
SMILESC#Cc1ccc(N2CCCC2)nn1
InChIInChI=1S/C10H11N3/c1-2-9-5-6-10(12-11-9)13-7-3-4-8-13/h1,5-6H,3-4,7-8H2
InChIKeyYMIWHBTUAPRKTL-UHFFFAOYSA-N
XLogP1.06
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(6-ethynylpyridazin-3-yl)piperazine-1-carboxylate
CID 99978985
3-ethynyl-6-(4-methyl-3-propan-2-ylpiperidin-1-yl)pyridazine
CID 88534420
3-ethynyl-6-(3-fluoro-4-propan-2-ylpiperidin-1-yl)pyridazine
CID 89449483
3-(azetidin-1-yl)-6-bromopyridazine
CID 123426042
3-pyrrolidin-1-yl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyridazine
CID 122334543
3-piperidin-1-yl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazine
CID 171700804
3-(azetidin-1-yl)-6-(chloromethyl)pyridazine
CID 130548160
N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine
CID 62285405
N-[[6-(azocan-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
CID 62279661
3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 165432773
4-(6-piperidin-1-ylpyridazin-3-yl)aniline
CID 51711955
N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62284754

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-6-pyrrolidin-1-ylpyridazine?
The IUPAC name of 3-ethynyl-6-pyrrolidin-1-ylpyridazine (CID 89272201) is 3-ethynyl-6-pyrrolidin-1-ylpyridazine.
What is the SMILES notation for 3-ethynyl-6-pyrrolidin-1-ylpyridazine?
The canonical SMILES for 3-ethynyl-6-pyrrolidin-1-ylpyridazine is C#Cc1ccc(N2CCCC2)nn1.
What is the InChIKey of 3-ethynyl-6-pyrrolidin-1-ylpyridazine?
The InChIKey is YMIWHBTUAPRKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-9-5-6-10(12-11-9)13-7-3-4-8-13/h1,5-6H,3-4,7-8H2.
What are the key properties of 3-ethynyl-6-pyrrolidin-1-ylpyridazine?
3-ethynyl-6-pyrrolidin-1-ylpyridazine has a molecular weight of 173.22 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-6-pyrrolidin-1-ylpyridazine is sourced from PubChem (CID 89272201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).