N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(2-methylpropoxy)benzamide

C17H19N5O3 — CID 2942896

IUPACN-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(2-methylpropoxy)benzamide
SMILESCc1nc2nc[nH]n2c(=O)c1NC(=O)c1cccc(OCC(C)C)c1
InChIInChI=1S/C17H19N5O3/c1-10(2)8-25-13-6-4-5-12(7-13)15(23)21-14-11(3)20-17-18-9-19-22(17)16(14)24/h4-7,9-10H,8H2,1-3H3,(H,21,23)(H,18,19,20)
InChIKeyOZKYCAFCRSYISJ-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.01
Rot. Bonds5

About N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(2-methylpropoxy)benzamide

N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(2-methylpropoxy)benzamide (PubChem CID 2942896) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(2-methylpropoxy)benzamide
PubChem CID2942896
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(2-methylpropoxy)benzamide
SMILESCc1nc2nc[nH]n2c(=O)c1NC(=O)c1cccc(OCC(C)C)c1
InChIInChI=1S/C17H19N5O3/c1-10(2)8-25-13-6-4-5-12(7-13)15(23)21-14-11(3)20-17-18-9-19-22(17)16(14)24/h4-7,9-10H,8H2,1-3H3,(H,21,23)(H,18,19,20)
InChIKeyOZKYCAFCRSYISJ-UHFFFAOYSA-N
XLogP2.01
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.01
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-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(2-methylpropoxy)benzamide (CID 2942896) is N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(2-methylpropoxy)benzamide is Cc1nc2nc[nH]n2c(=O)c1NC(=O)c1cccc(OCC(C)C)c1.
What is the InChIKey of N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(2-methylpropoxy)benzamide?
The InChIKey is OZKYCAFCRSYISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10(2)8-25-13-6-4-5-12(7-13)15(23)21-14-11(3)20-17-18-9-19-22(17)16(14)24/h4-7,9-10H,8H2,1-3H3,(H,21,23)(H,18,19,20).
What are the key properties of N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(2-methylpropoxy)benzamide?
N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(2-methylpropoxy)benzamide has a molecular weight of 341.37 g/mol, XLogP of 2.01, 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-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 2942896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).