1-(3-aminooxolan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone

C12H20N4O2 — CID 116579742

IUPAC1-(3-aminooxolan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone
SMILESCC(C)Cn1ncnc1CC(=O)C1(N)CCOC1
InChIInChI=1S/C12H20N4O2/c1-9(2)6-16-11(14-8-15-16)5-10(17)12(13)3-4-18-7-12/h8-9H,3-7,13H2,1-2H3
InChIKeyZWTNYUOAICBWQP-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.16
Rot. Bonds5

About 1-(3-aminooxolan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone

1-(3-aminooxolan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone (PubChem CID 116579742) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(3-aminooxolan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone.

Molecular Properties

Compound Name1-(3-aminooxolan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone
PubChem CID116579742
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-(3-aminooxolan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone
SMILESCC(C)Cn1ncnc1CC(=O)C1(N)CCOC1
InChIInChI=1S/C12H20N4O2/c1-9(2)6-16-11(14-8-15-16)5-10(17)12(13)3-4-18-7-12/h8-9H,3-7,13H2,1-2H3
InChIKeyZWTNYUOAICBWQP-UHFFFAOYSA-N
XLogP0.16
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(aminomethyl)cycloheptyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone
CID 116602254
2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylthiolan-2-yl)ethanone
CID 105110562
1-(2-ethylpyrrolidin-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone
CID 116608326
3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-oxooxane-3-carboxylic acid
CID 106470041
1,1-difluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-one
CID 112574058
3-amino-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 107324776
1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclopropyl]ethanone
CID 106796910
1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 116765435
4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hexan-2-one
CID 114981841
6-amino-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hexan-2-one
CID 116572141
3-amino-3-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-one
CID 116590520
1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 116579710

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxolan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone?
The IUPAC name of 1-(3-aminooxolan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone (CID 116579742) is 1-(3-aminooxolan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone.
What is the SMILES notation for 1-(3-aminooxolan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone?
The canonical SMILES for 1-(3-aminooxolan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone is CC(C)Cn1ncnc1CC(=O)C1(N)CCOC1.
What is the InChIKey of 1-(3-aminooxolan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone?
The InChIKey is ZWTNYUOAICBWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(2)6-16-11(14-8-15-16)5-10(17)12(13)3-4-18-7-12/h8-9H,3-7,13H2,1-2H3.
What are the key properties of 1-(3-aminooxolan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone?
1-(3-aminooxolan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone has a molecular weight of 252.32 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxolan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone is sourced from PubChem (CID 116579742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).