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

C9H16N4O2 — CID 78990543

IUPACmethyl 2-[ethyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]acetate
SMILESCCN(CC(=O)OC)Cc1nncn1C
InChIInChI=1S/C9H16N4O2/c1-4-13(6-9(14)15-3)5-8-11-10-7-12(8)2/h7H,4-6H2,1-3H3
InChIKeyXPTAEGXNBJFGNP-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.19
Rot. Bonds5

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

methyl 2-[ethyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]acetate (PubChem CID 78990543) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 2-[ethyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]acetate
PubChem CID78990543
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Namemethyl 2-[ethyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]acetate
SMILESCCN(CC(=O)OC)Cc1nncn1C
InChIInChI=1S/C9H16N4O2/c1-4-13(6-9(14)15-3)5-8-11-10-7-12(8)2/h7H,4-6H2,1-3H3
InChIKeyXPTAEGXNBJFGNP-UHFFFAOYSA-N
XLogP-0.19
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[ethyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]acetate (CID 78990543) is methyl 2-[ethyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]acetate is CCN(CC(=O)OC)Cc1nncn1C.
What is the InChIKey of methyl 2-[ethyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]acetate?
The InChIKey is XPTAEGXNBJFGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-4-13(6-9(14)15-3)5-8-11-10-7-12(8)2/h7H,4-6H2,1-3H3.
What are the key properties of methyl 2-[ethyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]acetate?
methyl 2-[ethyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]acetate has a molecular weight of 212.25 g/mol, XLogP of -0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]acetate is sourced from PubChem (CID 78990543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).