1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone

C19H19N5O2 — CID 75473404

IUPAC1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)n(C)c1
InChIInChI=1S/C19H19N5O2/c1-13(25)15-8-18(22(2)9-15)19(26)23-10-16(11-23)24-12-17(20-21-24)14-6-4-3-5-7-14/h3-9,12,16H,10-11H2,1-2H3
InChIKeyUYGFASMOOXJDIX-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.18
Rot. Bonds4

About 1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone

1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone (PubChem CID 75473404) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone
PubChem CID75473404
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)n(C)c1
InChIInChI=1S/C19H19N5O2/c1-13(25)15-8-18(22(2)9-15)19(26)23-10-16(11-23)24-12-17(20-21-24)14-6-4-3-5-7-14/h3-9,12,16H,10-11H2,1-2H3
InChIKeyUYGFASMOOXJDIX-UHFFFAOYSA-N
XLogP2.18
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone (CID 75473404) is 1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone is CC(=O)c1cc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)n(C)c1.
What is the InChIKey of 1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone?
The InChIKey is UYGFASMOOXJDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13(25)15-8-18(22(2)9-15)19(26)23-10-16(11-23)24-12-17(20-21-24)14-6-4-3-5-7-14/h3-9,12,16H,10-11H2,1-2H3.
What are the key properties of 1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone?
1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone has a molecular weight of 349.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone is sourced from PubChem (CID 75473404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).