methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate

C11H15N5O2 — CID 62005412

IUPACmethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
SMILESCOC(=O)CCN(C)c1cc(C)nc2ncnn12
InChIInChI=1S/C11H15N5O2/c1-8-6-9(15(2)5-4-10(17)18-3)16-11(14-8)12-7-13-16/h6-7H,4-5H2,1-3H3
InChIKeyXSMGNVFULXEMTF-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.43
Rot. Bonds4

About methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate

methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate (PubChem CID 62005412) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
PubChem CID62005412
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Namemethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
SMILESCOC(=O)CCN(C)c1cc(C)nc2ncnn12
InChIInChI=1S/C11H15N5O2/c1-8-6-9(15(2)5-4-10(17)18-3)16-11(14-8)12-7-13-16/h6-7H,4-5H2,1-3H3
InChIKeyXSMGNVFULXEMTF-UHFFFAOYSA-N
XLogP0.43
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide
CID 133303949
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62592638
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine
CID 55090908
N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62588189
methyl 2-[(3,4-difluorophenyl)methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate
CID 75444436
ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 133465187
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide
CID 106917443
methyl 6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexanoate
CID 39772396
N,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18095938
N-(4-chlorophenyl)-2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetamide
CID 18191318
6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol
CID 3512269
2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 115765238

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate?
The IUPAC name of methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate (CID 62005412) is methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate is COC(=O)CCN(C)c1cc(C)nc2ncnn12.
What is the InChIKey of methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate?
The InChIKey is XSMGNVFULXEMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-8-6-9(15(2)5-4-10(17)18-3)16-11(14-8)12-7-13-16/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate?
methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate has a molecular weight of 249.27 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate is sourced from PubChem (CID 62005412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).