2-(1H-1,2,4-triazol-5-yl)propanoic acid

C5H7N3O2 — CID 22215305

IUPAC2-(1H-1,2,4-triazol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1ncn[nH]1
InChIInChI=1S/C5H7N3O2/c1-3(5(9)10)4-6-2-7-8-4/h2-3H,1H3,(H,9,10)(H,6,7,8)
InChIKeyFJYGWZRVOFJYFU-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.01
Rot. Bonds2

About 2-(1H-1,2,4-triazol-5-yl)propanoic acid

2-(1H-1,2,4-triazol-5-yl)propanoic acid (PubChem CID 22215305) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-yl)propanoic acid
PubChem CID22215305
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name2-(1H-1,2,4-triazol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1ncn[nH]1
InChIInChI=1S/C5H7N3O2/c1-3(5(9)10)4-6-2-7-8-4/h2-3H,1H3,(H,9,10)(H,6,7,8)
InChIKeyFJYGWZRVOFJYFU-UHFFFAOYSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Amino-1H-1,2,4-triazol-5-yl)acetic acid
CID 566585
2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid
CID 7019477
2-(1H-1,2,4-triazol-3-yl)acetic acid
CID 20812034
ethyl 2-(1H-1,2,4-triazol-5-yl)acetate
CID 1263675
3-(4H-1,2,4-triazol-3-yl)propanoic acid
CID 57708787
2-(1-methyl-1H-1,2,4-triazol-3-yl)acetic acid
CID 70700275
methyl 2-methyl-2-(1H-1,2,4-triazol-5-yl)propanoate
CID 136574248
lithium(1+) ion 2-methyl-2-(1H-1,2,4-triazol-3-yl)propanoate
CID 138039701
sodium 2-(1H-1,2,4-triazol-3-yl)acetate
CID 146050026
2-sulfanyl-2-(1H-1,2,4-triazol-5-yl)acetic acid
CID 87083920
2-(4-methyl-4H-1,2,4-triazol-3-yl)acetic acid
CID 54443549
2-(1-methyl-1H-1,2,4-triazol-5-yl)acetic acid
CID 62695099

Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-yl)propanoic acid?
The IUPAC name of 2-(1H-1,2,4-triazol-5-yl)propanoic acid (CID 22215305) is 2-(1H-1,2,4-triazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-yl)propanoic acid?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-yl)propanoic acid is CC(C(=O)O)c1ncn[nH]1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-yl)propanoic acid?
The InChIKey is FJYGWZRVOFJYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-3(5(9)10)4-6-2-7-8-4/h2-3H,1H3,(H,9,10)(H,6,7,8).
What are the key properties of 2-(1H-1,2,4-triazol-5-yl)propanoic acid?
2-(1H-1,2,4-triazol-5-yl)propanoic acid has a molecular weight of 141.13 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-yl)propanoic acid is sourced from PubChem (CID 22215305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).