1-[1-(1,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid

C12H19N5O2 — CID 81467755

IUPAC1-[1-(1,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESCC1CC(N2CC(n3cc(C(=O)O)nn3)C2)CN1C
InChIInChI=1S/C12H19N5O2/c1-8-3-9(4-15(8)2)16-5-10(6-16)17-7-11(12(18)19)13-14-17/h7-10H,3-6H2,1-2H3,(H,18,19)
InChIKeyWMYSTCJIUXOLIC-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.07
Rot. Bonds3

About 1-[1-(1,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid

1-[1-(1,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 81467755) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[1-(1,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(1,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID81467755
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-[1-(1,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESCC1CC(N2CC(n3cc(C(=O)O)nn3)C2)CN1C
InChIInChI=1S/C12H19N5O2/c1-8-3-9(4-15(8)2)16-5-10(6-16)17-7-11(12(18)19)13-14-17/h7-10H,3-6H2,1-2H3,(H,18,19)
InChIKeyWMYSTCJIUXOLIC-UHFFFAOYSA-N
XLogP-0.07
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3,3,5-trimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79310679
1-[1-(3,4-dimethylpyrrolidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311104
1-[1-(2-ethylsulfonylethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311999
1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309425
1-[1-(3,3-dimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79316647
1-(1-pentylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309450
1-[1-(2-ethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308948
1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid
CID 129493827
1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308885
1-[1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311498
1-[1-(3-aminopropyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309694
1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311767

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(1,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid (CID 81467755) is 1-[1-(1,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(1,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(1,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid is CC1CC(N2CC(n3cc(C(=O)O)nn3)C2)CN1C.
What is the InChIKey of 1-[1-(1,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is WMYSTCJIUXOLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8-3-9(4-15(8)2)16-5-10(6-16)17-7-11(12(18)19)13-14-17/h7-10H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(1,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-(1,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 265.32 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 81467755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).