1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]triazole

C11H16N6 — CID 121183788

IUPAC1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]triazole
SMILESCc1nn(C)cc1CN1CC(n2ccnn2)C1
InChIInChI=1S/C11H16N6/c1-9-10(5-15(2)13-9)6-16-7-11(8-16)17-4-3-12-14-17/h3-5,11H,6-8H2,1-2H3
InChIKeyICIXIVKEBBNNQS-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.38
Rot. Bonds3

About 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]triazole

1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]triazole (PubChem CID 121183788) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]triazole.

Molecular Properties

Compound Name1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]triazole
PubChem CID121183788
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]triazole
SMILESCc1nn(C)cc1CN1CC(n2ccnn2)C1
InChIInChI=1S/C11H16N6/c1-9-10(5-15(2)13-9)6-16-7-11(8-16)17-4-3-12-14-17/h3-5,11H,6-8H2,1-2H3
InChIKeyICIXIVKEBBNNQS-UHFFFAOYSA-N
XLogP0.38
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]triazole?
The IUPAC name of 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]triazole (CID 121183788) is 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]triazole.
What is the SMILES notation for 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]triazole?
The canonical SMILES for 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]triazole is Cc1nn(C)cc1CN1CC(n2ccnn2)C1.
What is the InChIKey of 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]triazole?
The InChIKey is ICIXIVKEBBNNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-9-10(5-15(2)13-9)6-16-7-11(8-16)17-4-3-12-14-17/h3-5,11H,6-8H2,1-2H3.
What are the key properties of 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]triazole?
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]triazole has a molecular weight of 232.29 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]triazole is sourced from PubChem (CID 121183788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).