N-(5-tert-butyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide

C12H17N5O2 — CID 801714

IUPACN-(5-tert-butyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESCCC(=O)Nc1nc2nc(C(C)(C)C)cc(=O)n2[nH]1
InChIInChI=1S/C12H17N5O2/c1-5-8(18)14-10-15-11-13-7(12(2,3)4)6-9(19)17(11)16-10/h6H,5H2,1-4H3,(H2,13,14,15,16,18)
InChIKeyJHOSPUBQIMQPLO-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.06
Rot. Bonds2

About N-(5-tert-butyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide

N-(5-tert-butyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide (PubChem CID 801714) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(5-tert-butyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
PubChem CID801714
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-(5-tert-butyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESCCC(=O)Nc1nc2nc(C(C)(C)C)cc(=O)n2[nH]1
InChIInChI=1S/C12H17N5O2/c1-5-8(18)14-10-15-11-13-7(12(2,3)4)6-9(19)17(11)16-10/h6H,5H2,1-4H3,(H2,13,14,15,16,18)
InChIKeyJHOSPUBQIMQPLO-UHFFFAOYSA-N
XLogP1.06
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The IUPAC name of N-(5-tert-butyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide (CID 801714) is N-(5-tert-butyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide.
What is the SMILES notation for N-(5-tert-butyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The canonical SMILES for N-(5-tert-butyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide is CCC(=O)Nc1nc2nc(C(C)(C)C)cc(=O)n2[nH]1.
What is the InChIKey of N-(5-tert-butyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The InChIKey is JHOSPUBQIMQPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-5-8(18)14-10-15-11-13-7(12(2,3)4)6-9(19)17(11)16-10/h6H,5H2,1-4H3,(H2,13,14,15,16,18).
What are the key properties of N-(5-tert-butyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
N-(5-tert-butyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide has a molecular weight of 263.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide is sourced from PubChem (CID 801714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).