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

C13H19N5O2 — CID 62004554

IUPACmethyl 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate
SMILESCCCC(C)(Nc1cc(C)nc2ncnn12)C(=O)OC
InChIInChI=1S/C13H19N5O2/c1-5-6-13(3,11(19)20-4)17-10-7-9(2)16-12-14-8-15-18(10)12/h7-8,17H,5-6H2,1-4H3
InChIKeyTWEXJFMTTYHCJG-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.58
Rot. Bonds5

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

methyl 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate (PubChem CID 62004554) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is methyl 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate
PubChem CID62004554
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Namemethyl 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate
SMILESCCCC(C)(Nc1cc(C)nc2ncnn12)C(=O)OC
InChIInChI=1S/C13H19N5O2/c1-5-6-13(3,11(19)20-4)17-10-7-9(2)16-12-14-8-15-18(10)12/h7-8,17H,5-6H2,1-4H3
InChIKeyTWEXJFMTTYHCJG-UHFFFAOYSA-N
XLogP1.58
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate (CID 62004554) is methyl 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate is CCCC(C)(Nc1cc(C)nc2ncnn12)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate?
The InChIKey is TWEXJFMTTYHCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-5-6-13(3,11(19)20-4)17-10-7-9(2)16-12-14-8-15-18(10)12/h7-8,17H,5-6H2,1-4H3.
What are the key properties of methyl 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate?
methyl 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate has a molecular weight of 277.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate is sourced from PubChem (CID 62004554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).