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

C10H15N3O3 — CID 136999625

IUPAC2-(1-cyclohexyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
SMILESO=C(O)Cc1nn(C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c14-9(15)6-8-11-10(16)13(12-8)7-4-2-1-3-5-7/h7H,1-6H2,(H,14,15)(H,11,12,16)
InChIKeyFEUWWMLKVGJVCC-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.70
Rot. Bonds3

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

2-(1-cyclohexyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid (PubChem CID 136999625) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(1-cyclohexyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclohexyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
PubChem CID136999625
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-(1-cyclohexyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
SMILESO=C(O)Cc1nn(C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c14-9(15)6-8-11-10(16)13(12-8)7-4-2-1-3-5-7/h7H,1-6H2,(H,14,15)(H,11,12,16)
InChIKeyFEUWWMLKVGJVCC-UHFFFAOYSA-N
XLogP0.70
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethyl-5-oxo-4H-1,2,4-triazol-1-yl)propanoic acid
CID 136313218
3-(3-cyclobutyl-5-oxo-4H-1,2,4-triazol-1-yl)propanoic acid
CID 136313286
3-(3-cyclopentyl-5-oxo-4H-1,2,4-triazol-1-yl)propanoic acid
CID 136313326
2-(1-ethyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
CID 136965978
2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
CID 136966019
2-(5-oxo-1-propan-2-yl-4H-1,2,4-triazol-3-yl)acetic acid
CID 136966031
2-(1-cyclobutyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
CID 136982050
2-(1-cyclopentyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
CID 136982167
2-cyclohexyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
CID 136982170
3-(1-cyclohexyl-5-oxo-4H-1,2,4-triazol-3-yl)propanoic acid
CID 137015126
2-(1-cycloheptyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
CID 137015127

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid?
The IUPAC name of 2-(1-cyclohexyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid (CID 136999625) is 2-(1-cyclohexyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclohexyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid?
The canonical SMILES for 2-(1-cyclohexyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid is O=C(O)Cc1nn(C2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 2-(1-cyclohexyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid?
The InChIKey is FEUWWMLKVGJVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c14-9(15)6-8-11-10(16)13(12-8)7-4-2-1-3-5-7/h7H,1-6H2,(H,14,15)(H,11,12,16).
What are the key properties of 2-(1-cyclohexyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid?
2-(1-cyclohexyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid is sourced from PubChem (CID 136999625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).