N-acetyl-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

C11H13N5O2 — CID 2185679

IUPACN-acetyl-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C11H13N5O2/c1-6-5-7(2)16-10(12-6)13-11(14-16)15(8(3)17)9(4)18/h5H,1-4H3
InChIKeyUSBSXSHJEUGSCA-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.64
Rot. Bonds1

About N-acetyl-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

N-acetyl-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 2185679) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-acetyl-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID2185679
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-acetyl-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C11H13N5O2/c1-6-5-7(2)16-10(12-6)13-11(14-16)15(8(3)17)9(4)18/h5H,1-4H3
InChIKeyUSBSXSHJEUGSCA-UHFFFAOYSA-N
XLogP0.64
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-Dimethyltetrazolo(1,5-a)pyrimidine
CID 229014
2-{5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}acetic acid
CID 774409
5,7-Dimethyl-(1,2,4)triazolo(1,5-a)pyrimidin-2-amine
CID 267310
5,7-Dimethyl(1,2,4)triazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 676511
2-(3,5-Dimethyl-pyrazol-1-YL)-4,6-dimethyl-pyrimidine
CID 3401968
2,5,7-Trimethylpyrazolo[1,5-a]pyrimidine
CID 3611062
Ethyl (5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
CID 970623
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2332242
N-[2-(3,5-Dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide
CID 24989637
5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde
CID 23635226
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 2387118
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 2587038

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-acetyl-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 2185679) is N-acetyl-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-acetyl-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-acetyl-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is CC(=O)N(C(C)=O)c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of N-acetyl-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is USBSXSHJEUGSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-6-5-7(2)16-10(12-6)13-11(14-16)15(8(3)17)9(4)18/h5H,1-4H3.
What are the key properties of N-acetyl-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-acetyl-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 247.26 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 2185679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).