2-[5-oxo-3,4-di(propan-2-yl)-1,2,4-triazol-1-yl]acetamide

C10H18N4O2 — CID 176773680

IUPAC2-[5-oxo-3,4-di(propan-2-yl)-1,2,4-triazol-1-yl]acetamide
SMILESCC(C)c1nn(CC(N)=O)c(=O)n1C(C)C
InChIInChI=1S/C10H18N4O2/c1-6(2)9-12-13(5-8(11)15)10(16)14(9)7(3)4/h6-7H,5H2,1-4H3,(H2,11,15)
InChIKeyBOHOGTSOOJJQGQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.23
Rot. Bonds4

About 2-[5-oxo-3,4-di(propan-2-yl)-1,2,4-triazol-1-yl]acetamide

2-[5-oxo-3,4-di(propan-2-yl)-1,2,4-triazol-1-yl]acetamide (PubChem CID 176773680) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[5-oxo-3,4-di(propan-2-yl)-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-oxo-3,4-di(propan-2-yl)-1,2,4-triazol-1-yl]acetamide
PubChem CID176773680
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[5-oxo-3,4-di(propan-2-yl)-1,2,4-triazol-1-yl]acetamide
SMILESCC(C)c1nn(CC(N)=O)c(=O)n1C(C)C
InChIInChI=1S/C10H18N4O2/c1-6(2)9-12-13(5-8(11)15)10(16)14(9)7(3)4/h6-7H,5H2,1-4H3,(H2,11,15)
InChIKeyBOHOGTSOOJJQGQ-UHFFFAOYSA-N
XLogP0.23
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-oxo-3,4-di(propan-2-yl)-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of 2-[5-oxo-3,4-di(propan-2-yl)-1,2,4-triazol-1-yl]acetamide (CID 176773680) is 2-[5-oxo-3,4-di(propan-2-yl)-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for 2-[5-oxo-3,4-di(propan-2-yl)-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for 2-[5-oxo-3,4-di(propan-2-yl)-1,2,4-triazol-1-yl]acetamide is CC(C)c1nn(CC(N)=O)c(=O)n1C(C)C.
What is the InChIKey of 2-[5-oxo-3,4-di(propan-2-yl)-1,2,4-triazol-1-yl]acetamide?
The InChIKey is BOHOGTSOOJJQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-6(2)9-12-13(5-8(11)15)10(16)14(9)7(3)4/h6-7H,5H2,1-4H3,(H2,11,15).
What are the key properties of 2-[5-oxo-3,4-di(propan-2-yl)-1,2,4-triazol-1-yl]acetamide?
2-[5-oxo-3,4-di(propan-2-yl)-1,2,4-triazol-1-yl]acetamide has a molecular weight of 226.28 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-oxo-3,4-di(propan-2-yl)-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 176773680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).