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

C16H17N5O5 — CID 135520809

IUPAC3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(=O)[nH]c3nc(C)nn23)cc(OC)c1OC
InChIInChI=1S/C16H17N5O5/c1-8-17-16-19-13(22)7-12(21(16)20-8)18-15(23)9-5-10(24-2)14(26-4)11(6-9)25-3/h5-7H,1-4H3,(H,18,23)(H,17,19,20,22)
InChIKeyIAIPWOCEXZCKIO-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.00
Rot. Bonds5

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

3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide (PubChem CID 135520809) has the molecular formula C16H17N5O5 and a molecular weight of 359.34 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
PubChem CID135520809
Molecular FormulaC16H17N5O5
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC Name3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(=O)[nH]c3nc(C)nn23)cc(OC)c1OC
InChIInChI=1S/C16H17N5O5/c1-8-17-16-19-13(22)7-12(21(16)20-8)18-15(23)9-5-10(24-2)14(26-4)11(6-9)25-3/h5-7H,1-4H3,(H,18,23)(H,17,19,20,22)
InChIKeyIAIPWOCEXZCKIO-UHFFFAOYSA-N
XLogP1.00
TPSA119.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-trimethoxy-N-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 135400173
N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-nitrobenzamide
CID 135520856
N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylbenzamide
CID 135520756
4-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 135520826
3,4,5-trimethoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 135912404
N-[2-(2-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-4-carboxamide
CID 135399414
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 25283142
4-tert-butyl-N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135456277
4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135520813
N-(2-butyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135400104
4-chloro-N-[5-oxo-2-(phenoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 135472180
N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide
CID 8781434

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide (CID 135520809) is 3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide is COc1cc(C(=O)Nc2cc(=O)[nH]c3nc(C)nn23)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
The InChIKey is IAIPWOCEXZCKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O5/c1-8-17-16-19-13(22)7-12(21(16)20-8)18-15(23)9-5-10(24-2)14(26-4)11(6-9)25-3/h5-7H,1-4H3,(H,18,23)(H,17,19,20,22).
What are the key properties of 3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide has a molecular weight of 359.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide is sourced from PubChem (CID 135520809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).