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

C17H19N5O2 — CID 6473457

IUPACN-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide
SMILESCc1nc2nc(NC(=O)C(C)C)[nH]n2c(=O)c1Cc1ccccc1
InChIInChI=1S/C17H19N5O2/c1-10(2)14(23)19-16-20-17-18-11(3)13(15(24)22(17)21-16)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H2,18,19,20,21,23)
InChIKeyASBBVWVAGYLZIX-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.91
Rot. Bonds4

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

N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide (PubChem CID 6473457) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide
PubChem CID6473457
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide
SMILESCc1nc2nc(NC(=O)C(C)C)[nH]n2c(=O)c1Cc1ccccc1
InChIInChI=1S/C17H19N5O2/c1-10(2)14(23)19-16-20-17-18-11(3)13(15(24)22(17)21-16)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H2,18,19,20,21,23)
InChIKeyASBBVWVAGYLZIX-UHFFFAOYSA-N
XLogP1.91
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide?
The IUPAC name of N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide (CID 6473457) is N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide is Cc1nc2nc(NC(=O)C(C)C)[nH]n2c(=O)c1Cc1ccccc1.
What is the InChIKey of N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide?
The InChIKey is ASBBVWVAGYLZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10(2)14(23)19-16-20-17-18-11(3)13(15(24)22(17)21-16)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H2,18,19,20,21,23).
What are the key properties of N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide?
N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide has a molecular weight of 325.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide is sourced from PubChem (CID 6473457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).