[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone

C15H24N4O — CID 104672847

IUPAC[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)N1CCCC1CCCN
InChIInChI=1S/C15H24N4O/c1-3-14-13(10-11(2)17-18-14)15(20)19-9-5-7-12(19)6-4-8-16/h10,12H,3-9,16H2,1-2H3
InChIKeyQSHPRVUFGQIZLC-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.69
Rot. Bonds5

About [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone

[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone (PubChem CID 104672847) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
PubChem CID104672847
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)N1CCCC1CCCN
InChIInChI=1S/C15H24N4O/c1-3-14-13(10-11(2)17-18-14)15(20)19-9-5-7-12(19)6-4-8-16/h10,12H,3-9,16H2,1-2H3
InChIKeyQSHPRVUFGQIZLC-UHFFFAOYSA-N
XLogP1.69
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104671716
(3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
CID 104671210
[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 63765567
[2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104669016
[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 107726352
[2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 66121036
(3,6-dimethylpyridazin-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104671185
1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidine-3-carbothioamide
CID 104670482
(3-ethyl-6-methylpyridazin-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 104625716
[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107673329
[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 63765380
(3-chloropyrrolidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104672468

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The IUPAC name of [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone (CID 104672847) is [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone.
What is the SMILES notation for [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The canonical SMILES for [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone is CCc1nnc(C)cc1C(=O)N1CCCC1CCCN.
What is the InChIKey of [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The InChIKey is QSHPRVUFGQIZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-14-13(10-11(2)17-18-14)15(20)19-9-5-7-12(19)6-4-8-16/h10,12H,3-9,16H2,1-2H3.
What are the key properties of [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone?
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone is sourced from PubChem (CID 104672847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).