2-[1-(6-pyridin-3-ylpyridazin-3-yl)pyrrolidin-2-yl]ethanamine

C15H19N5 — CID 116973081

IUPAC2-[1-(6-pyridin-3-ylpyridazin-3-yl)pyrrolidin-2-yl]ethanamine
SMILESNCCC1CCCN1c1ccc(-c2cccnc2)nn1
InChIInChI=1S/C15H19N5/c16-8-7-13-4-2-10-20(13)15-6-5-14(18-19-15)12-3-1-9-17-11-12/h1,3,5-6,9,11,13H,2,4,7-8,10,16H2
InChIKeyROEKHOLCOHNSOC-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.86
Rot. Bonds4

About 2-[1-(6-pyridin-3-ylpyridazin-3-yl)pyrrolidin-2-yl]ethanamine

2-[1-(6-pyridin-3-ylpyridazin-3-yl)pyrrolidin-2-yl]ethanamine (PubChem CID 116973081) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[1-(6-pyridin-3-ylpyridazin-3-yl)pyrrolidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(6-pyridin-3-ylpyridazin-3-yl)pyrrolidin-2-yl]ethanamine
PubChem CID116973081
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-[1-(6-pyridin-3-ylpyridazin-3-yl)pyrrolidin-2-yl]ethanamine
SMILESNCCC1CCCN1c1ccc(-c2cccnc2)nn1
InChIInChI=1S/C15H19N5/c16-8-7-13-4-2-10-20(13)15-6-5-14(18-19-15)12-3-1-9-17-11-12/h1,3,5-6,9,11,13H,2,4,7-8,10,16H2
InChIKeyROEKHOLCOHNSOC-UHFFFAOYSA-N
XLogP1.86
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanamine
CID 116972450
2-[1-(6-methylpyridazin-3-yl)piperidin-2-yl]ethanamine
CID 63655181
2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925964
1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 95610877
3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine
CID 80680463
N-propan-2-yl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365272
N-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070949
3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine
CID 80668055
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
N-[(2-chlorophenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071054
(4R)-1-methyl-4-[(6-pyridin-3-ylpyridazin-3-yl)methyl]azepane
CID 95825329
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine
CID 63759147

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-pyridin-3-ylpyridazin-3-yl)pyrrolidin-2-yl]ethanamine?
The IUPAC name of 2-[1-(6-pyridin-3-ylpyridazin-3-yl)pyrrolidin-2-yl]ethanamine (CID 116973081) is 2-[1-(6-pyridin-3-ylpyridazin-3-yl)pyrrolidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(6-pyridin-3-ylpyridazin-3-yl)pyrrolidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-(6-pyridin-3-ylpyridazin-3-yl)pyrrolidin-2-yl]ethanamine is NCCC1CCCN1c1ccc(-c2cccnc2)nn1.
What is the InChIKey of 2-[1-(6-pyridin-3-ylpyridazin-3-yl)pyrrolidin-2-yl]ethanamine?
The InChIKey is ROEKHOLCOHNSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c16-8-7-13-4-2-10-20(13)15-6-5-14(18-19-15)12-3-1-9-17-11-12/h1,3,5-6,9,11,13H,2,4,7-8,10,16H2.
What are the key properties of 2-[1-(6-pyridin-3-ylpyridazin-3-yl)pyrrolidin-2-yl]ethanamine?
2-[1-(6-pyridin-3-ylpyridazin-3-yl)pyrrolidin-2-yl]ethanamine has a molecular weight of 269.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-pyridin-3-ylpyridazin-3-yl)pyrrolidin-2-yl]ethanamine is sourced from PubChem (CID 116973081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).