2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid

C5H7N3O2 — CID 7019477

IUPAC2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid
SMILESCc1nc(CC(=O)O)n[nH]1
InChIInChI=1S/C5H7N3O2/c1-3-6-4(8-7-3)2-5(9)10/h2H2,1H3,(H,9,10)(H,6,7,8)
InChIKeyRIRHAWIZPRZONH-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.26
Rot. Bonds2

About 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid

2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid (PubChem CID 7019477) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid
PubChem CID7019477
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid
SMILESCc1nc(CC(=O)O)n[nH]1
InChIInChI=1S/C5H7N3O2/c1-3-6-4(8-7-3)2-5(9)10/h2H2,1H3,(H,9,10)(H,6,7,8)
InChIKeyRIRHAWIZPRZONH-UHFFFAOYSA-N
XLogP-0.26
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid?
The IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid (CID 7019477) is 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid is Cc1nc(CC(=O)O)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid?
The InChIKey is RIRHAWIZPRZONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-3-6-4(8-7-3)2-5(9)10/h2H2,1H3,(H,9,10)(H,6,7,8).
What are the key properties of 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid?
2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid has a molecular weight of 141.13 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid is sourced from PubChem (CID 7019477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).