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

C7H12N4O2 — CID 62117345

IUPAC2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetic acid
SMILESCC(NCC(=O)O)c1nncn1C
InChIInChI=1S/C7H12N4O2/c1-5(8-3-6(12)13)7-10-9-4-11(7)2/h4-5,8H,3H2,1-2H3,(H,12,13)
InChIKeyDRLZODKZZFKHSI-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.45
Rot. Bonds4

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

2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetic acid (PubChem CID 62117345) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetic acid
PubChem CID62117345
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetic acid
SMILESCC(NCC(=O)O)c1nncn1C
InChIInChI=1S/C7H12N4O2/c1-5(8-3-6(12)13)7-10-9-4-11(7)2/h4-5,8H,3H2,1-2H3,(H,12,13)
InChIKeyDRLZODKZZFKHSI-UHFFFAOYSA-N
XLogP-0.45
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetic acid?
The IUPAC name of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetic acid (CID 62117345) is 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetic acid.
What is the SMILES notation for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetic acid?
The canonical SMILES for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetic acid is CC(NCC(=O)O)c1nncn1C.
What is the InChIKey of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetic acid?
The InChIKey is DRLZODKZZFKHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-5(8-3-6(12)13)7-10-9-4-11(7)2/h4-5,8H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetic acid?
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetic acid has a molecular weight of 184.20 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetic acid is sourced from PubChem (CID 62117345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).