N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

C10H13N5O2 — CID 707206

IUPACN-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCCc1c(C)nc2nc(NC(C)=O)[nH]n2c1=O
InChIInChI=1S/C10H13N5O2/c1-4-7-5(2)11-10-13-9(12-6(3)16)14-15(10)8(7)17/h4H2,1-3H3,(H2,11,12,13,14,16)
InChIKeyZIXYPJYFDBQWDA-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.25
Rot. Bonds2

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

N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 707206) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID707206
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC NameN-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCCc1c(C)nc2nc(NC(C)=O)[nH]n2c1=O
InChIInChI=1S/C10H13N5O2/c1-4-7-5(2)11-10-13-9(12-6(3)16)14-15(10)8(7)17/h4H2,1-3H3,(H2,11,12,13,14,16)
InChIKeyZIXYPJYFDBQWDA-UHFFFAOYSA-N
XLogP0.25
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 696270
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
CID 930740
US10975084, Example 8-12
CID 62914965
5-Ethyl-2-hydrazinyl-6-methyl-3,4-dihydropyrimidin-4-one
CID 136027789
N-(7-Hydroxy-5-isopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-propionamide
CID 606310
N-(6-Ethyl-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide
CID 606146
6-ethyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 16457454
N-(7-oxo-5-propyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 7342966
5-Methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 21791679
6-ethyl-2-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 134440967
N'-(4,5-Dimethyl-6-oxo-1,6-dihydro-2-pyrimidinyl)acetohydrazide
CID 135437413
2-Amino-6-ethyl-5-methyl[1,2,4]triazolo[1,5-A]pyrimidin-7-OL
CID 4150420

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 707206) is N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is CCc1c(C)nc2nc(NC(C)=O)[nH]n2c1=O.
What is the InChIKey of N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is ZIXYPJYFDBQWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-4-7-5(2)11-10-13-9(12-6(3)16)14-15(10)8(7)17/h4H2,1-3H3,(H2,11,12,13,14,16).
What are the key properties of N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 235.25 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 707206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).