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

C16H18N6O2 — CID 156586922

IUPACN-(5-methyl-7-oxo-6-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridin-2-ylacetamide
SMILESCCCc1c(C)nc2nc(NC(=O)Cc3ccccn3)[nH]n2c1=O
InChIInChI=1S/C16H18N6O2/c1-3-6-12-10(2)18-16-20-15(21-22(16)14(12)24)19-13(23)9-11-7-4-5-8-17-11/h4-5,7-8H,3,6,9H2,1-2H3,(H2,18,19,20,21,23)
InChIKeyXHXDSYHPXBQNOI-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.25
Rot. Bonds5

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

N-(5-methyl-7-oxo-6-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridin-2-ylacetamide (PubChem CID 156586922) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(5-methyl-7-oxo-6-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-(5-methyl-7-oxo-6-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridin-2-ylacetamide
PubChem CID156586922
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-(5-methyl-7-oxo-6-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridin-2-ylacetamide
SMILESCCCc1c(C)nc2nc(NC(=O)Cc3ccccn3)[nH]n2c1=O
InChIInChI=1S/C16H18N6O2/c1-3-6-12-10(2)18-16-20-15(21-22(16)14(12)24)19-13(23)9-11-7-4-5-8-17-11/h4-5,7-8H,3,6,9H2,1-2H3,(H2,18,19,20,21,23)
InChIKeyXHXDSYHPXBQNOI-UHFFFAOYSA-N
XLogP1.25
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-7-oxo-6-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridin-2-ylacetamide?
The IUPAC name of N-(5-methyl-7-oxo-6-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridin-2-ylacetamide (CID 156586922) is N-(5-methyl-7-oxo-6-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-(5-methyl-7-oxo-6-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridin-2-ylacetamide?
The canonical SMILES for N-(5-methyl-7-oxo-6-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridin-2-ylacetamide is CCCc1c(C)nc2nc(NC(=O)Cc3ccccn3)[nH]n2c1=O.
What is the InChIKey of N-(5-methyl-7-oxo-6-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridin-2-ylacetamide?
The InChIKey is XHXDSYHPXBQNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-3-6-12-10(2)18-16-20-15(21-22(16)14(12)24)19-13(23)9-11-7-4-5-8-17-11/h4-5,7-8H,3,6,9H2,1-2H3,(H2,18,19,20,21,23).
What are the key properties of N-(5-methyl-7-oxo-6-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridin-2-ylacetamide?
N-(5-methyl-7-oxo-6-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridin-2-ylacetamide has a molecular weight of 326.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-7-oxo-6-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 156586922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).