1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone

C19H31N5O2 — CID 126918327

IUPAC1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(CN(C)C2CN(c3ccc(C(C)(C)C)nn3)C2)C1
InChIInChI=1S/C19H31N5O2/c1-14(25)23-8-9-26-16(13-23)12-22(5)15-10-24(11-15)18-7-6-17(20-21-18)19(2,3)4/h6-7,15-16H,8-13H2,1-5H3
InChIKeyBCAGNKWPTHDKPI-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.14
Rot. Bonds4

About 1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone

1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone (PubChem CID 126918327) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone
PubChem CID126918327
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(CN(C)C2CN(c3ccc(C(C)(C)C)nn3)C2)C1
InChIInChI=1S/C19H31N5O2/c1-14(25)23-8-9-26-16(13-23)12-22(5)15-10-24(11-15)18-7-6-17(20-21-18)19(2,3)4/h6-7,15-16H,8-13H2,1-5H3
InChIKeyBCAGNKWPTHDKPI-UHFFFAOYSA-N
XLogP1.14
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163352719
1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine
CID 126918355
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methylmethanesulfonamide
CID 126918115
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine
CID 126918220
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 126918086
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 126918267
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
CID 126918120
1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone
CID 97195476
1-(6-tert-butylpyridazin-3-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylazetidin-3-amine
CID 126918170
1-(6-tert-butylpyridazin-3-yl)-N,N-dimethylpiperidin-3-amine
CID 134595806
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-2,1,3-benzothiadiazole-5-carboxamide
CID 126918035
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 126918088

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone (CID 126918327) is 1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone is CC(=O)N1CCOC(CN(C)C2CN(c3ccc(C(C)(C)C)nn3)C2)C1.
What is the InChIKey of 1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone?
The InChIKey is BCAGNKWPTHDKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-14(25)23-8-9-26-16(13-23)12-22(5)15-10-24(11-15)18-7-6-17(20-21-18)19(2,3)4/h6-7,15-16H,8-13H2,1-5H3.
What are the key properties of 1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone?
1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone has a molecular weight of 361.49 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 126918327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).