2-[4-(azetidin-1-yl)triazol-2-yl]acetic acid

C7H10N4O2 — CID 165140511

IUPAC2-[4-(azetidin-1-yl)triazol-2-yl]acetic acid
SMILESO=C(O)Cn1ncc(N2CCC2)n1
InChIInChI=1S/C7H10N4O2/c12-7(13)5-11-8-4-6(9-11)10-2-1-3-10/h4H,1-3,5H2,(H,12,13)
InChIKeyJIYUATHVGNEEGR-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.43
Rot. Bonds3

About 2-[4-(azetidin-1-yl)triazol-2-yl]acetic acid

2-[4-(azetidin-1-yl)triazol-2-yl]acetic acid (PubChem CID 165140511) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-[4-(azetidin-1-yl)triazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(azetidin-1-yl)triazol-2-yl]acetic acid
PubChem CID165140511
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name2-[4-(azetidin-1-yl)triazol-2-yl]acetic acid
SMILESO=C(O)Cn1ncc(N2CCC2)n1
InChIInChI=1S/C7H10N4O2/c12-7(13)5-11-8-4-6(9-11)10-2-1-3-10/h4H,1-3,5H2,(H,12,13)
InChIKeyJIYUATHVGNEEGR-UHFFFAOYSA-N
XLogP-0.43
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(azetidin-1-yl)triazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(azetidin-1-yl)triazol-2-yl]acetic acid (CID 165140511) is 2-[4-(azetidin-1-yl)triazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(azetidin-1-yl)triazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(azetidin-1-yl)triazol-2-yl]acetic acid is O=C(O)Cn1ncc(N2CCC2)n1.
What is the InChIKey of 2-[4-(azetidin-1-yl)triazol-2-yl]acetic acid?
The InChIKey is JIYUATHVGNEEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c12-7(13)5-11-8-4-6(9-11)10-2-1-3-10/h4H,1-3,5H2,(H,12,13).
What are the key properties of 2-[4-(azetidin-1-yl)triazol-2-yl]acetic acid?
2-[4-(azetidin-1-yl)triazol-2-yl]acetic acid has a molecular weight of 182.18 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azetidin-1-yl)triazol-2-yl]acetic acid is sourced from PubChem (CID 165140511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).