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

C21H19N5O3 — CID 7342962

IUPACN-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc2nc(C)c(Cc3ccccc3)c(=O)n2[nH]1
InChIInChI=1S/C21H19N5O3/c1-13-16(12-14-8-4-3-5-9-14)19(28)26-21(22-13)24-20(25-26)23-18(27)15-10-6-7-11-17(15)29-2/h3-11H,12H2,1-2H3,(H2,22,23,24,25,27)
InChIKeyGFPKLMQCYRPYOY-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.58
Rot. Bonds5

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

N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide (PubChem CID 7342962) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 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-methoxybenzamide.

Molecular Properties

Compound NameN-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide
PubChem CID7342962
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc2nc(C)c(Cc3ccccc3)c(=O)n2[nH]1
InChIInChI=1S/C21H19N5O3/c1-13-16(12-14-8-4-3-5-9-14)19(28)26-21(22-13)24-20(25-26)23-18(27)15-10-6-7-11-17(15)29-2/h3-11H,12H2,1-2H3,(H2,22,23,24,25,27)
InChIKeyGFPKLMQCYRPYOY-UHFFFAOYSA-N
XLogP2.58
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-methoxybenzamide?
The IUPAC name of N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide (CID 7342962) is N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide.
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-methoxybenzamide?
The canonical SMILES for N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nc2nc(C)c(Cc3ccccc3)c(=O)n2[nH]1.
What is the InChIKey of N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide?
The InChIKey is GFPKLMQCYRPYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13-16(12-14-8-4-3-5-9-14)19(28)26-21(22-13)24-20(25-26)23-18(27)15-10-6-7-11-17(15)29-2/h3-11H,12H2,1-2H3,(H2,22,23,24,25,27).
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-methoxybenzamide?
N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide has a molecular weight of 389.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-methoxybenzamide is sourced from PubChem (CID 7342962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).