methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate

C9H16N4O2 — CID 63332871

IUPACmethyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
SMILESCOC(=O)C(C)NCCc1nncn1C
InChIInChI=1S/C9H16N4O2/c1-7(9(14)15-3)10-5-4-8-12-11-6-13(8)2/h6-7,10H,4-5H2,1-3H3
InChIKeyJQWNBQSPMZISEE-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.49
Rot. Bonds5

About methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate

methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate (PubChem CID 63332871) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
PubChem CID63332871
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Namemethyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
SMILESCOC(=O)C(C)NCCc1nncn1C
InChIInChI=1S/C9H16N4O2/c1-7(9(14)15-3)10-5-4-8-12-11-6-13(8)2/h6-7,10H,4-5H2,1-3H3
InChIKeyJQWNBQSPMZISEE-UHFFFAOYSA-N
XLogP-0.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 55202094
3-methoxy-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoic acid
CID 103251264
4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
CID 63332509
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 107905239
(2S)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 55202295
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid
CID 83040599
2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 103251288
ethyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoacetate
CID 63330652
2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide
CID 63330292
methyl (E)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]prop-2-enoate
CID 103251287
1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 116655956
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63330181

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate?
The IUPAC name of methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate (CID 63332871) is methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate.
What is the SMILES notation for methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate?
The canonical SMILES for methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate is COC(=O)C(C)NCCc1nncn1C.
What is the InChIKey of methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate?
The InChIKey is JQWNBQSPMZISEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-7(9(14)15-3)10-5-4-8-12-11-6-13(8)2/h6-7,10H,4-5H2,1-3H3.
What are the key properties of methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate?
methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate has a molecular weight of 212.25 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate is sourced from PubChem (CID 63332871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).