1-(2-methoxyethylamino)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one

C11H20N4O2 — CID 116591674

IUPAC1-(2-methoxyethylamino)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
SMILESCOCCNCC(=O)Cc1ncnn1C(C)C
InChIInChI=1S/C11H20N4O2/c1-9(2)15-11(13-8-14-15)6-10(16)7-12-4-5-17-3/h8-9,12H,4-7H2,1-3H3
InChIKeyYEYITUXJCGOHIQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.21
Rot. Bonds8

About 1-(2-methoxyethylamino)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one

1-(2-methoxyethylamino)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one (PubChem CID 116591674) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
PubChem CID116591674
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-(2-methoxyethylamino)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
SMILESCOCCNCC(=O)Cc1ncnn1C(C)C
InChIInChI=1S/C11H20N4O2/c1-9(2)15-11(13-8-14-15)6-10(16)7-12-4-5-17-3/h8-9,12H,4-7H2,1-3H3
InChIKeyYEYITUXJCGOHIQ-UHFFFAOYSA-N
XLogP0.21
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethyl-1,2,4-triazol-3-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591587
4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
CID 116559456
1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146999
4-methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-one
CID 103023319
2-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide
CID 106237724
1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one
CID 116591634
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
CID 58602880
1-(2-methoxyethylamino)-3-pyridin-2-ylpropan-2-one
CID 116591647
1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591662
1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114935457
1-(3-chlorophenoxy)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 105110355
3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
CID 114981433

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one?
The IUPAC name of 1-(2-methoxyethylamino)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one (CID 116591674) is 1-(2-methoxyethylamino)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(2-methoxyethylamino)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one?
The canonical SMILES for 1-(2-methoxyethylamino)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one is COCCNCC(=O)Cc1ncnn1C(C)C.
What is the InChIKey of 1-(2-methoxyethylamino)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one?
The InChIKey is YEYITUXJCGOHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-9(2)15-11(13-8-14-15)6-10(16)7-12-4-5-17-3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 1-(2-methoxyethylamino)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one?
1-(2-methoxyethylamino)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one has a molecular weight of 240.31 g/mol, XLogP of 0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one is sourced from PubChem (CID 116591674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).