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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Related Compounds

(3-Amino-1H-1,2,4-triazol-5-yl)acetic acid
CID 566585
ethyl 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate
CID 7730544
3-(5-amino-4H-1,2,4-triazol-3-yl)propanoic acid
CID 25248730
2-(5-Nitro-1H-1,2,4-triazol-3-yl)acetic acid
CID 135430111
ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate
CID 2048020
2-(1H-1,2,4-triazol-3-yl)acetic acid
CID 20812034
methyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
CID 50989155
(5-Amino-4H-1,2,4-triazol-3-yl)acetic acid hydrate
CID 75530731
ethyl 2-(3-ethyl-1H-1,2,4-triazol-5-yl)acetate
CID 16463050
lithium(1+) 3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoate
CID 155822257
ethyl 2-{5-[(ethoxycarbonyl)methyl]-1H-1,2,4-triazol-3-yl}acetate
CID 720080
(5-trifluoromethyl-2H-[1,2,4]triazol-3-yl)-acetic acid methyl ester
CID 58189158

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).