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

C8H11N3O3 — CID 136982050

IUPAC2-(1-cyclobutyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
SMILESO=C(O)Cc1nn(C2CCC2)c(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c12-7(13)4-6-9-8(14)11(10-6)5-2-1-3-5/h5H,1-4H2,(H,12,13)(H,9,10,14)
InChIKeyIIEVKZCTGBYCGP-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.08
Rot. Bonds3

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

2-(1-cyclobutyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid (PubChem CID 136982050) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(1-cyclobutyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclobutyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
PubChem CID136982050
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(1-cyclobutyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
SMILESO=C(O)Cc1nn(C2CCC2)c(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c12-7(13)4-6-9-8(14)11(10-6)5-2-1-3-5/h5H,1-4H2,(H,12,13)(H,9,10,14)
InChIKeyIIEVKZCTGBYCGP-UHFFFAOYSA-N
XLogP-0.08
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
CID 136966019
3-(1-cyclohexyl-5-oxo-4H-1,2,4-triazol-3-yl)propanoic acid
CID 137015126
2-cyclobutyl-5-(pyrrolidin-2-ylmethyl)-4H-1,2,4-triazol-3-one
CID 136999578
2-cyclobutyl-5-(pyrrolidin-3-ylmethyl)-4H-1,2,4-triazol-3-one
CID 136999577
2-cyclopropyl-5-(piperidin-3-ylmethyl)-4H-1,2,4-triazol-3-one
CID 136999580
benzyl 4-(3-benzyl-5-oxo-4H-1,2,4-triazol-1-yl)piperidine-1-carboxylate
CID 136814405
2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid
CID 83852450
2-cyclopentyl-5-piperidin-2-yl-4H-1,2,4-triazol-3-one
CID 137015090
2-(5-bromo-1-cyclopentylpyrazol-3-yl)acetic acid
CID 115050709
2-(4-cyclobutyl-5-methylsulfanyl-1,2,4-triazol-3-yl)acetic acid
CID 83892882
2-(1-cyclopentyl-5-methylpyrazol-4-yl)acetic acid
CID 83883737
2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid
CID 112712810

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid?
The IUPAC name of 2-(1-cyclobutyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid (CID 136982050) is 2-(1-cyclobutyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclobutyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid?
The canonical SMILES for 2-(1-cyclobutyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid is O=C(O)Cc1nn(C2CCC2)c(=O)[nH]1.
What is the InChIKey of 2-(1-cyclobutyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid?
The InChIKey is IIEVKZCTGBYCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-7(13)4-6-9-8(14)11(10-6)5-2-1-3-5/h5H,1-4H2,(H,12,13)(H,9,10,14).
What are the key properties of 2-(1-cyclobutyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid?
2-(1-cyclobutyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid has a molecular weight of 197.19 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid is sourced from PubChem (CID 136982050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).