4-methoxy-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide

C13H11N5O3 — CID 135520821

IUPAC4-methoxy-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(=O)[nH]c3ncnn23)cc1
InChIInChI=1S/C13H11N5O3/c1-21-9-4-2-8(3-5-9)12(20)16-10-6-11(19)17-13-14-7-15-18(10)13/h2-7H,1H3,(H,16,20)(H,14,15,17,19)
InChIKeyWARVLQYNOPHMGK-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.68
Rot. Bonds3

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

4-methoxy-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide (PubChem CID 135520821) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-methoxy-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
PubChem CID135520821
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC Name4-methoxy-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(=O)[nH]c3ncnn23)cc1
InChIInChI=1S/C13H11N5O3/c1-21-9-4-2-8(3-5-9)12(20)16-10-6-11(19)17-13-14-7-15-18(10)13/h2-7H,1H3,(H,16,20)(H,14,15,17,19)
InChIKeyWARVLQYNOPHMGK-UHFFFAOYSA-N
XLogP0.68
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
The IUPAC name of 4-methoxy-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide (CID 135520821) is 4-methoxy-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide is COc1ccc(C(=O)Nc2cc(=O)[nH]c3ncnn23)cc1.
What is the InChIKey of 4-methoxy-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
The InChIKey is WARVLQYNOPHMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c1-21-9-4-2-8(3-5-9)12(20)16-10-6-11(19)17-13-14-7-15-18(10)13/h2-7H,1H3,(H,16,20)(H,14,15,17,19).
What are the key properties of 4-methoxy-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
4-methoxy-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide has a molecular weight of 285.26 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide is sourced from PubChem (CID 135520821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).