2-(1-tert-butyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)acetamide

C12H16N6O — CID 131951982

IUPAC2-(1-tert-butyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)acetamide
SMILESCC(C)(C)n1nc(CC(N)=O)nc1-c1cncnc1
InChIInChI=1S/C12H16N6O/c1-12(2,3)18-11(8-5-14-7-15-6-8)16-10(17-18)4-9(13)19/h5-7H,4H2,1-3H3,(H2,13,19)
InChIKeyGMPUAUQXOFUIRD-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.52
Rot. Bonds3

About 2-(1-tert-butyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)acetamide

2-(1-tert-butyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)acetamide (PubChem CID 131951982) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(1-tert-butyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-tert-butyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)acetamide
PubChem CID131951982
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name2-(1-tert-butyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)acetamide
SMILESCC(C)(C)n1nc(CC(N)=O)nc1-c1cncnc1
InChIInChI=1S/C12H16N6O/c1-12(2,3)18-11(8-5-14-7-15-6-8)16-10(17-18)4-9(13)19/h5-7H,4H2,1-3H3,(H2,13,19)
InChIKeyGMPUAUQXOFUIRD-UHFFFAOYSA-N
XLogP0.52
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(1-tert-butyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)acetamide (CID 131951982) is 2-(1-tert-butyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(1-tert-butyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(1-tert-butyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)acetamide is CC(C)(C)n1nc(CC(N)=O)nc1-c1cncnc1.
What is the InChIKey of 2-(1-tert-butyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is GMPUAUQXOFUIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-12(2,3)18-11(8-5-14-7-15-6-8)16-10(17-18)4-9(13)19/h5-7H,4H2,1-3H3,(H2,13,19).
What are the key properties of 2-(1-tert-butyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)acetamide?
2-(1-tert-butyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 260.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 131951982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).