3-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide

C11H15N5O2 — CID 7342950

IUPAC3-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
SMILESCc1cc(=O)n2[nH]c(NC(=O)CC(C)C)nc2n1
InChIInChI=1S/C11H15N5O2/c1-6(2)4-8(17)13-10-14-11-12-7(3)5-9(18)16(11)15-10/h5-6H,4H2,1-3H3,(H2,12,13,14,15,17)
InChIKeyMKJFECNGHQIRKP-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.71
Rot. Bonds3

About 3-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide

3-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide (PubChem CID 7342950) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
PubChem CID7342950
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name3-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
SMILESCc1cc(=O)n2[nH]c(NC(=O)CC(C)C)nc2n1
InChIInChI=1S/C11H15N5O2/c1-6(2)4-8(17)13-10-14-11-12-7(3)5-9(18)16(11)15-10/h5-6H,4H2,1-3H3,(H2,12,13,14,15,17)
InChIKeyMKJFECNGHQIRKP-UHFFFAOYSA-N
XLogP0.71
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
The IUPAC name of 3-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide (CID 7342950) is 3-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
The canonical SMILES for 3-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide is Cc1cc(=O)n2[nH]c(NC(=O)CC(C)C)nc2n1.
What is the InChIKey of 3-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
The InChIKey is MKJFECNGHQIRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-6(2)4-8(17)13-10-14-11-12-7(3)5-9(18)16(11)15-10/h5-6H,4H2,1-3H3,(H2,12,13,14,15,17).
What are the key properties of 3-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
3-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide has a molecular weight of 249.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide is sourced from PubChem (CID 7342950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).