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

C11H15N5O2 — CID 139682447

IUPACN-(6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCCCn1c(=O)c(C)cn2nc(NC(C)=O)nc12
InChIInChI=1S/C11H15N5O2/c1-4-5-15-9(18)7(2)6-16-11(15)13-10(14-16)12-8(3)17/h6H,4-5H2,1-3H3,(H,12,14,17)
InChIKeyJQHHYRNMBQTJOM-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.57
Rot. Bonds3

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

N-(6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 139682447) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID139682447
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-(6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCCCn1c(=O)c(C)cn2nc(NC(C)=O)nc12
InChIInChI=1S/C11H15N5O2/c1-4-5-15-9(18)7(2)6-16-11(15)13-10(14-16)12-8(3)17/h6H,4-5H2,1-3H3,(H,12,14,17)
InChIKeyJQHHYRNMBQTJOM-UHFFFAOYSA-N
XLogP0.57
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 163508717
2-(dimethylamino)-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 139682450
2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 130154781
2-amino-6-butyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 139682448
N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide
CID 21856
ethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate
CID 110474210
N-(1,5-dimethyl-2-oxopyrimidin-4-yl)acetamide
CID 169189343
2-(methylamino)-N-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
CID 110470482
N-[6-(2-methylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
CID 110455395
N-(5-fluoro-2-methylphenyl)-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2492984
N-(2-chloro-6-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 46925073
N-[(3,4-dimethylphenyl)carbamoyl]-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 27266200

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-(6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 139682447) is N-(6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is CCCn1c(=O)c(C)cn2nc(NC(C)=O)nc12.
What is the InChIKey of N-(6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is JQHHYRNMBQTJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-4-5-15-9(18)7(2)6-16-11(15)13-10(14-16)12-8(3)17/h6H,4-5H2,1-3H3,(H,12,14,17).
What are the key properties of N-(6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-(6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 249.27 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-5-oxo-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 139682447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).