2-(4-cyclopropyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

C11H14N4O3 — CID 71545734

IUPAC2-(4-cyclopropyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(Cn1cc(C2CC2)nn1)N[C@H]1CCOC1=O
InChIInChI=1S/C11H14N4O3/c16-10(12-8-3-4-18-11(8)17)6-15-5-9(13-14-15)7-1-2-7/h5,7-8H,1-4,6H2,(H,12,16)/t8-/m0/s1
InChIKeyUIRKEGBTOLUOSG-QMMMGPOBSA-N
MW250.26 g/mol
LogP-0.41
Rot. Bonds4

About 2-(4-cyclopropyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-(4-cyclopropyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 71545734) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(4-cyclopropyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID71545734
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-(4-cyclopropyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(Cn1cc(C2CC2)nn1)N[C@H]1CCOC1=O
InChIInChI=1S/C11H14N4O3/c16-10(12-8-3-4-18-11(8)17)6-15-5-9(13-14-15)7-1-2-7/h5,7-8H,1-4,6H2,(H,12,16)/t8-/m0/s1
InChIKeyUIRKEGBTOLUOSG-QMMMGPOBSA-N
XLogP-0.41
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-(4-cyclopropyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 71545734) is 2-(4-cyclopropyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-(4-cyclopropyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is O=C(Cn1cc(C2CC2)nn1)N[C@H]1CCOC1=O.
What is the InChIKey of 2-(4-cyclopropyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is UIRKEGBTOLUOSG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-10(12-8-3-4-18-11(8)17)6-15-5-9(13-14-15)7-1-2-7/h5,7-8H,1-4,6H2,(H,12,16)/t8-/m0/s1.
What are the key properties of 2-(4-cyclopropyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-(4-cyclopropyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 250.26 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 71545734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).