1-[2-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-1-yl]ethanone

C18H21N5O2 — CID 75473434

IUPAC1-[2-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C18H21N5O2/c1-13(24)22-9-5-8-17(22)18(25)21-10-15(11-21)23-12-16(19-20-23)14-6-3-2-4-7-14/h2-4,6-7,12,15,17H,5,8-11H2,1H3
InChIKeyMLDUGICSKRSPGA-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.34
Rot. Bonds3

About 1-[2-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-1-yl]ethanone

1-[2-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-1-yl]ethanone (PubChem CID 75473434) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[2-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-1-yl]ethanone
PubChem CID75473434
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-[2-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C18H21N5O2/c1-13(24)22-9-5-8-17(22)18(25)21-10-15(11-21)23-12-16(19-20-23)14-6-3-2-4-7-14/h2-4,6-7,12,15,17H,5,8-11H2,1H3
InChIKeyMLDUGICSKRSPGA-UHFFFAOYSA-N
XLogP1.34
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-1-yl]ethanone (CID 75473434) is 1-[2-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of 1-[2-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The InChIKey is MLDUGICSKRSPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13(24)22-9-5-8-17(22)18(25)21-10-15(11-21)23-12-16(19-20-23)14-6-3-2-4-7-14/h2-4,6-7,12,15,17H,5,8-11H2,1H3.
What are the key properties of 1-[2-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
1-[2-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-1-yl]ethanone has a molecular weight of 339.40 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 75473434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).