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

C8H14N4O2 — CID 62117158

IUPACmethyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetate
SMILESCOC(=O)CNC(C)c1nncn1C
InChIInChI=1S/C8H14N4O2/c1-6(9-4-7(13)14-3)8-11-10-5-12(8)2/h5-6,9H,4H2,1-3H3
InChIKeyRLGJTVRDSCMTEZ-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.36
Rot. Bonds4

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

methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetate (PubChem CID 62117158) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetate
PubChem CID62117158
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Namemethyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetate
SMILESCOC(=O)CNC(C)c1nncn1C
InChIInChI=1S/C8H14N4O2/c1-6(9-4-7(13)14-3)8-11-10-5-12(8)2/h5-6,9H,4H2,1-3H3
InChIKeyRLGJTVRDSCMTEZ-UHFFFAOYSA-N
XLogP-0.36
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetate?
The IUPAC name of methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetate (CID 62117158) is methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetate.
What is the SMILES notation for methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetate?
The canonical SMILES for methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetate is COC(=O)CNC(C)c1nncn1C.
What is the InChIKey of methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetate?
The InChIKey is RLGJTVRDSCMTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-6(9-4-7(13)14-3)8-11-10-5-12(8)2/h5-6,9H,4H2,1-3H3.
What are the key properties of methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetate?
methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetate has a molecular weight of 198.23 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetate is sourced from PubChem (CID 62117158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).