1-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid

C10H10N6O4 — CID 79310641

IUPAC1-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CN(C(=O)c3c[nH]c(=O)[nH]3)C2)nn1
InChIInChI=1S/C10H10N6O4/c17-8(6-1-11-10(20)12-6)15-2-5(3-15)16-4-7(9(18)19)13-14-16/h1,4-5H,2-3H2,(H,18,19)(H2,11,12,20)
InChIKeyIJVXHQIUPIWJHR-UHFFFAOYSA-N
MW278.23 g/mol
LogP-1.31
Rot. Bonds3

About 1-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid

1-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 79310641) has the molecular formula C10H10N6O4 and a molecular weight of 278.23 g/mol. Its IUPAC name is 1-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID79310641
Molecular FormulaC10H10N6O4
Molecular Weight278.23 g/mol
Exact Mass278.08
IUPAC Name1-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CN(C(=O)c3c[nH]c(=O)[nH]3)C2)nn1
InChIInChI=1S/C10H10N6O4/c17-8(6-1-11-10(20)12-6)15-2-5(3-15)16-4-7(9(18)19)13-14-16/h1,4-5H,2-3H2,(H,18,19)(H2,11,12,20)
InChIKeyIJVXHQIUPIWJHR-UHFFFAOYSA-N
XLogP-1.31
TPSA136.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 121190686
1-[1-(6-oxopyran-3-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79310852
1-(1-prop-2-ynoylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309642
1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308885
1-[1-(3,4-dimethylpyrrolidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311104
1-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309150
1-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 104638330
1-[1-(5-bromopyridine-2-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309369
1-[1-(3-iodobenzoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79310613
1-[1-(tert-butylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311077
1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311493
1-[1-(1H-imidazol-2-ylmethylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311961

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid (CID 79310641) is 1-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid is O=C(O)c1cn(C2CN(C(=O)c3c[nH]c(=O)[nH]3)C2)nn1.
What is the InChIKey of 1-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is IJVXHQIUPIWJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O4/c17-8(6-1-11-10(20)12-6)15-2-5(3-15)16-4-7(9(18)19)13-14-16/h1,4-5H,2-3H2,(H,18,19)(H2,11,12,20).
What are the key properties of 1-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 278.23 g/mol, XLogP of -1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 79310641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).