ethyl 4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate

C17H19N5O2 — CID 647037

IUPACethyl 4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2c(CC)c(C)nc3ncnn23)cc1
InChIInChI=1S/C17H19N5O2/c1-4-14-11(3)20-17-18-10-19-22(17)15(14)21-13-8-6-12(7-9-13)16(23)24-5-2/h6-10,21H,4-5H2,1-3H3
InChIKeyIOCNLUFKTXFPHH-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.92
Rot. Bonds5

About ethyl 4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate

ethyl 4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate (PubChem CID 647037) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
PubChem CID647037
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Nameethyl 4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2c(CC)c(C)nc3ncnn23)cc1
InChIInChI=1S/C17H19N5O2/c1-4-14-11(3)20-17-18-10-19-22(17)15(14)21-13-8-6-12(7-9-13)16(23)24-5-2/h6-10,21H,4-5H2,1-3H3
InChIKeyIOCNLUFKTXFPHH-UHFFFAOYSA-N
XLogP2.92
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate 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-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ylamino)-benzoic acid
CID 743045
4-[[8-[1-(2-Methylpropyl)-1H-pyrazol-4-yl][1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198979
4-[[8-(1-Propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198994
4-[[8-(1-Cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199142
4-[[8-(1-Cyclohexylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199165
Stk008107
CID 694929
2-[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(1H-tetrazol-1-yl)benzoate
CID 16276659
2-Methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one
CID 24882194
Methyl 4-((5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino)benzoate
CID 654302
4-[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
CID 845965
ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
CID 660250
Ethyl 4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 661115

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate?
The IUPAC name of ethyl 4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate (CID 647037) is ethyl 4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate?
The canonical SMILES for ethyl 4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate is CCOC(=O)c1ccc(Nc2c(CC)c(C)nc3ncnn23)cc1.
What is the InChIKey of ethyl 4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate?
The InChIKey is IOCNLUFKTXFPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-4-14-11(3)20-17-18-10-19-22(17)15(14)21-13-8-6-12(7-9-13)16(23)24-5-2/h6-10,21H,4-5H2,1-3H3.
What are the key properties of ethyl 4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate?
ethyl 4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate has a molecular weight of 325.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate is sourced from PubChem (CID 647037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).