N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2-dimethylpropanamide

C12H17N5O2 — CID 6485791

IUPACN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2-dimethylpropanamide
SMILESCc1nc2nc(NC(=O)C(C)(C)C)[nH]n2c(=O)c1C
InChIInChI=1S/C12H17N5O2/c1-6-7(2)13-11-15-10(16-17(11)8(6)18)14-9(19)12(3,4)5/h1-5H3,(H2,13,14,15,16,19)
InChIKeyZKJFZROXBZPBEN-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.02
Rot. Bonds1

About N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2-dimethylpropanamide

N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2-dimethylpropanamide (PubChem CID 6485791) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2-dimethylpropanamide
PubChem CID6485791
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2-dimethylpropanamide
SMILESCc1nc2nc(NC(=O)C(C)(C)C)[nH]n2c(=O)c1C
InChIInChI=1S/C12H17N5O2/c1-6-7(2)13-11-15-10(16-17(11)8(6)18)14-9(19)12(3,4)5/h1-5H3,(H2,13,14,15,16,19)
InChIKeyZKJFZROXBZPBEN-UHFFFAOYSA-N
XLogP1.02
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2-dimethylpropanamide (CID 6485791) is N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2-dimethylpropanamide is Cc1nc2nc(NC(=O)C(C)(C)C)[nH]n2c(=O)c1C.
What is the InChIKey of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2-dimethylpropanamide?
The InChIKey is ZKJFZROXBZPBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-6-7(2)13-11-15-10(16-17(11)8(6)18)14-9(19)12(3,4)5/h1-5H3,(H2,13,14,15,16,19).
What are the key properties of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2-dimethylpropanamide?
N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2-dimethylpropanamide has a molecular weight of 263.30 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 6485791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).