3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide

C18H23N5O — CID 121190256

IUPAC3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C18H23N5O/c24-18(19-10-4-7-14-5-2-1-3-6-14)22-11-16(12-22)23-13-17(20-21-23)15-8-9-15/h1-3,5-6,13,15-16H,4,7-12H2,(H,19,24)
InChIKeyVBJQPQCGGBMJNB-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.35
Rot. Bonds6

About 3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide

3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide (PubChem CID 121190256) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide
PubChem CID121190256
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C18H23N5O/c24-18(19-10-4-7-14-5-2-1-3-6-14)22-11-16(12-22)23-13-17(20-21-23)15-8-9-15/h1-3,5-6,13,15-16H,4,7-12H2,(H,19,24)
InChIKeyVBJQPQCGGBMJNB-UHFFFAOYSA-N
XLogP2.35
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one
CID 121189876
3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121105872
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
4-[3-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-oxopropyl]benzonitrile
CID 121190003
3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 163339671
3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 121160042
1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121189888
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 121190540
3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide
CID 121150133
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 121189855
N-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 134161266
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121093224

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide?
The IUPAC name of 3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide (CID 121190256) is 3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide is O=C(NCCCc1ccccc1)N1CC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide?
The InChIKey is VBJQPQCGGBMJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18(19-10-4-7-14-5-2-1-3-6-14)22-11-16(12-22)23-13-17(20-21-23)15-8-9-15/h1-3,5-6,13,15-16H,4,7-12H2,(H,19,24).
What are the key properties of 3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide?
3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide is sourced from PubChem (CID 121190256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).