[2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone

C13H20N4O2 — CID 104671724

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCOC(C(C)N)C2)c(C)nn1
InChIInChI=1S/C13H20N4O2/c1-8-6-11(10(3)16-15-8)13(18)17-4-5-19-12(7-17)9(2)14/h6,9,12H,4-5,7,14H2,1-3H3
InChIKeyOFHZEVIBBGDILN-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.28
Rot. Bonds2

About [2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone

[2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone (PubChem CID 104671724) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone
PubChem CID104671724
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCOC(C(C)N)C2)c(C)nn1
InChIInChI=1S/C13H20N4O2/c1-8-6-11(10(3)16-15-8)13(18)17-4-5-19-12(7-17)9(2)14/h6,9,12H,4-5,7,14H2,1-3H3
InChIKeyOFHZEVIBBGDILN-UHFFFAOYSA-N
XLogP0.28
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 99716788
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103807821
[2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 81484012
[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 81484704
[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone
CID 81483994
[2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 81485230
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
CID 81484165
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone
CID 81485236
[2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone
CID 103807808
(3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103879517
(3-chloropyrrolidin-1-yl)-(3,6-dimethylpyridazin-4-yl)methanone
CID 104672469
[2-(1-aminoethyl)morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 81484968

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone (CID 104671724) is [2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone is Cc1cc(C(=O)N2CCOC(C(C)N)C2)c(C)nn1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone?
The InChIKey is OFHZEVIBBGDILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8-6-11(10(3)16-15-8)13(18)17-4-5-19-12(7-17)9(2)14/h6,9,12H,4-5,7,14H2,1-3H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone?
[2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone has a molecular weight of 264.33 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone is sourced from PubChem (CID 104671724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).