2-[(1-benzyltriazol-4-yl)methylamino]acetic acid

C12H14N4O2 — CID 102473436

IUPAC2-[(1-benzyltriazol-4-yl)methylamino]acetic acid
SMILESO=C(O)CNCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C12H14N4O2/c17-12(18)7-13-6-11-9-16(15-14-11)8-10-4-2-1-3-5-10/h1-5,9,13H,6-8H2,(H,17,18)
InChIKeyGIDFHDDIYAKTBJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.50
Rot. Bonds6

About 2-[(1-benzyltriazol-4-yl)methylamino]acetic acid

2-[(1-benzyltriazol-4-yl)methylamino]acetic acid (PubChem CID 102473436) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[(1-benzyltriazol-4-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-benzyltriazol-4-yl)methylamino]acetic acid
PubChem CID102473436
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-[(1-benzyltriazol-4-yl)methylamino]acetic acid
SMILESO=C(O)CNCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C12H14N4O2/c17-12(18)7-13-6-11-9-16(15-14-11)8-10-4-2-1-3-5-10/h1-5,9,13H,6-8H2,(H,17,18)
InChIKeyGIDFHDDIYAKTBJ-UHFFFAOYSA-N
XLogP0.50
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyltriazol-4-yl)methylamino]acetic acid?
The IUPAC name of 2-[(1-benzyltriazol-4-yl)methylamino]acetic acid (CID 102473436) is 2-[(1-benzyltriazol-4-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(1-benzyltriazol-4-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(1-benzyltriazol-4-yl)methylamino]acetic acid is O=C(O)CNCc1cn(Cc2ccccc2)nn1.
What is the InChIKey of 2-[(1-benzyltriazol-4-yl)methylamino]acetic acid?
The InChIKey is GIDFHDDIYAKTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12(18)7-13-6-11-9-16(15-14-11)8-10-4-2-1-3-5-10/h1-5,9,13H,6-8H2,(H,17,18).
What are the key properties of 2-[(1-benzyltriazol-4-yl)methylamino]acetic acid?
2-[(1-benzyltriazol-4-yl)methylamino]acetic acid has a molecular weight of 246.27 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyltriazol-4-yl)methylamino]acetic acid is sourced from PubChem (CID 102473436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).