2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide

C13H20N6O — CID 122560829

IUPAC2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
SMILESCC(C)c1nccn1C(C)C(=O)NCCn1ccnn1
InChIInChI=1S/C13H20N6O/c1-10(2)12-14-5-9-19(12)11(3)13(20)15-4-7-18-8-6-16-17-18/h5-6,8-11H,4,7H2,1-3H3,(H,15,20)
InChIKeyDLQCCIIPYVVBDG-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.98
Rot. Bonds6

About 2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide

2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide (PubChem CID 122560829) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
PubChem CID122560829
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
SMILESCC(C)c1nccn1C(C)C(=O)NCCn1ccnn1
InChIInChI=1S/C13H20N6O/c1-10(2)12-14-5-9-19(12)11(3)13(20)15-4-7-18-8-6-16-17-18/h5-6,8-11H,4,7H2,1-3H3,(H,15,20)
InChIKeyDLQCCIIPYVVBDG-UHFFFAOYSA-N
XLogP0.98
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide?
The IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide (CID 122560829) is 2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide is CC(C)c1nccn1C(C)C(=O)NCCn1ccnn1.
What is the InChIKey of 2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide?
The InChIKey is DLQCCIIPYVVBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-10(2)12-14-5-9-19(12)11(3)13(20)15-4-7-18-8-6-16-17-18/h5-6,8-11H,4,7H2,1-3H3,(H,15,20).
What are the key properties of 2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide?
2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide has a molecular weight of 276.34 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 122560829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).