2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]acetic acid

C7H7N5O3 — CID 150074262

IUPAC2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]acetic acid
SMILESCc1nc(-c2ncn(CC(=O)O)n2)no1
InChIInChI=1S/C7H7N5O3/c1-4-9-7(11-15-4)6-8-3-12(10-6)2-5(13)14/h3H,2H2,1H3,(H,13,14)
InChIKeyDPXSRKHYPBGGIM-UHFFFAOYSA-N
MW209.16 g/mol
LogP-0.28
Rot. Bonds3

About 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]acetic acid

2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]acetic acid (PubChem CID 150074262) has the molecular formula C7H7N5O3 and a molecular weight of 209.16 g/mol. Its IUPAC name is 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]acetic acid
PubChem CID150074262
Molecular FormulaC7H7N5O3
Molecular Weight209.16 g/mol
Exact Mass209.05
IUPAC Name2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]acetic acid
SMILESCc1nc(-c2ncn(CC(=O)O)n2)no1
InChIInChI=1S/C7H7N5O3/c1-4-9-7(11-15-4)6-8-3-12(10-6)2-5(13)14/h3H,2H2,1H3,(H,13,14)
InChIKeyDPXSRKHYPBGGIM-UHFFFAOYSA-N
XLogP-0.28
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]acetic acid (CID 150074262) is 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]acetic acid is Cc1nc(-c2ncn(CC(=O)O)n2)no1.
What is the InChIKey of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]acetic acid?
The InChIKey is DPXSRKHYPBGGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O3/c1-4-9-7(11-15-4)6-8-3-12(10-6)2-5(13)14/h3H,2H2,1H3,(H,13,14).
What are the key properties of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]acetic acid?
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]acetic acid has a molecular weight of 209.16 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]acetic acid is sourced from PubChem (CID 150074262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).