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

C15H15N5O2 — CID 5308141

IUPACmethyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cc(C)nc2nc(C)nn12
InChIInChI=1S/C15H15N5O2/c1-9-8-13(20-15(16-9)17-10(2)19-20)18-12-7-5-4-6-11(12)14(21)22-3/h4-8,18H,1-3H3
InChIKeyUVGPFMTXTCUSTP-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.27
Rot. Bonds3

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

methyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate (PubChem CID 5308141) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is methyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
PubChem CID5308141
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Namemethyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cc(C)nc2nc(C)nn12
InChIInChI=1S/C15H15N5O2/c1-9-8-13(20-15(16-9)17-10(2)19-20)18-12-7-5-4-6-11(12)14(21)22-3/h4-8,18H,1-3H3
InChIKeyUVGPFMTXTCUSTP-UHFFFAOYSA-N
XLogP2.27
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2,5-dimethyl-[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

N-(2,5-dimethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308295
N-(2,5-dimethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid
CID 46245558
methyl 2-[(2-methoxy-6-methylpyrimidin-4-yl)amino]benzoate
CID 16662001
methyl 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]benzoate
CID 110383551
methyl 2-[[2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 112878838
methyl 2-[[6-(4-acetamidoanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878803
4-[[6-(2-methoxycarbonylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193329
methyl 2-[[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112929325
methyl 2-[[6-(2-ethoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878454
methyl 4-[[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzoate
CID 20961731
methyl 2-[[4-[benzyl(methyl)amino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112917001
methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
CID 112868921

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate?
The IUPAC name of methyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate (CID 5308141) is methyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate?
The canonical SMILES for methyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate is COC(=O)c1ccccc1Nc1cc(C)nc2nc(C)nn12.
What is the InChIKey of methyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate?
The InChIKey is UVGPFMTXTCUSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-9-8-13(20-15(16-9)17-10(2)19-20)18-12-7-5-4-6-11(12)14(21)22-3/h4-8,18H,1-3H3.
What are the key properties of methyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate?
methyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate has a molecular weight of 297.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate is sourced from PubChem (CID 5308141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).