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

C16H17N5O2 — CID 46262807

IUPACmethyl 2-[[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]acetate
SMILESCOC(=O)CNc1cc(C)nc2nc(-c3ccccc3C)nn12
InChIInChI=1S/C16H17N5O2/c1-10-6-4-5-7-12(10)15-19-16-18-11(2)8-13(21(16)20-15)17-9-14(22)23-3/h4-8,17H,9H2,1-3H3
InChIKeySQXNBZVQCHJQCD-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.99
Rot. Bonds4

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

methyl 2-[[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]acetate (PubChem CID 46262807) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is methyl 2-[[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]acetate
PubChem CID46262807
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Namemethyl 2-[[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]acetate
SMILESCOC(=O)CNc1cc(C)nc2nc(-c3ccccc3C)nn12
InChIInChI=1S/C16H17N5O2/c1-10-6-4-5-7-12(10)15-19-16-18-11(2)8-13(21(16)20-15)17-9-14(22)23-3/h4-8,17H,9H2,1-3H3
InChIKeySQXNBZVQCHJQCD-UHFFFAOYSA-N
XLogP1.99
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]acetate with MolForge

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Related Compounds

5-methyl-2-(2-methylphenyl)-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608624
N-(4-fluorophenyl)-5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608616
2-[2-hydroxyethyl-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 23608606
ethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate
CID 46262804
N-ethyl-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961806
1-[3-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone
CID 23608422
ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate
CID 60810672
2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide
CID 50750264
methyl 4-[[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzoate
CID 20961731
N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 122174850
methyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 5308141
[4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl] 2-methylbenzoate
CID 53045823

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]acetate?
The IUPAC name of methyl 2-[[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]acetate (CID 46262807) is methyl 2-[[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]acetate?
The canonical SMILES for methyl 2-[[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]acetate is COC(=O)CNc1cc(C)nc2nc(-c3ccccc3C)nn12.
What is the InChIKey of methyl 2-[[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]acetate?
The InChIKey is SQXNBZVQCHJQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-6-4-5-7-12(10)15-19-16-18-11(2)8-13(21(16)20-15)17-9-14(22)23-3/h4-8,17H,9H2,1-3H3.
What are the key properties of methyl 2-[[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]acetate?
methyl 2-[[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]acetate has a molecular weight of 311.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]acetate is sourced from PubChem (CID 46262807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).