7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H17N5O2 — CID 51185265

IUPAC7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cccc(OCCNC(=O)c2nc3nccc(C)n3n2)c1
InChIInChI=1S/C16H17N5O2/c1-11-4-3-5-13(10-11)23-9-8-17-15(22)14-19-16-18-7-6-12(2)21(16)20-14/h3-7,10H,8-9H2,1-2H3,(H,17,22)
InChIKeyOEDFMOPIZQFXQA-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.55
Rot. Bonds5

About 7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 51185265) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID51185265
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cccc(OCCNC(=O)c2nc3nccc(C)n3n2)c1
InChIInChI=1S/C16H17N5O2/c1-11-4-3-5-13(10-11)23-9-8-17-15(22)14-19-16-18-7-6-12(2)21(16)20-14/h3-7,10H,8-9H2,1-2H3,(H,17,22)
InChIKeyOEDFMOPIZQFXQA-UHFFFAOYSA-N
XLogP1.55
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 51185265) is 7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cccc(OCCNC(=O)c2nc3nccc(C)n3n2)c1.
What is the InChIKey of 7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OEDFMOPIZQFXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-11-4-3-5-13(10-11)23-9-8-17-15(22)14-19-16-18-7-6-12(2)21(16)20-14/h3-7,10H,8-9H2,1-2H3,(H,17,22).
What are the key properties of 7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 51185265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).