(3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone

C20H28N4O — CID 121154730

IUPAC(3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESCC(C)(C)c1cc(C(=O)N2CC(n3ccnn3)C2)cc(C(C)(C)C)c1
InChIInChI=1S/C20H28N4O/c1-19(2,3)15-9-14(10-16(11-15)20(4,5)6)18(25)23-12-17(13-23)24-8-7-21-22-24/h7-11,17H,12-13H2,1-6H3
InChIKeyOHFWCIKCPFTODE-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.57
Rot. Bonds2

About (3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone

(3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone (PubChem CID 121154730) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
PubChem CID121154730
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESCC(C)(C)c1cc(C(=O)N2CC(n3ccnn3)C2)cc(C(C)(C)C)c1
InChIInChI=1S/C20H28N4O/c1-19(2,3)15-9-14(10-16(11-15)20(4,5)6)18(25)23-12-17(13-23)24-8-7-21-22-24/h7-11,17H,12-13H2,1-6H3
InChIKeyOHFWCIKCPFTODE-UHFFFAOYSA-N
XLogP3.57
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 86265293
(4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 91625210
[4-(3-chlorophenyl)phenyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 91625226
pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150784
[4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121151178
2-cyclopentylidene-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
CID 136521619
[4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877322
(5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 91625205
2-ethyl-1-[3-(triazol-1-yl)azetidin-1-yl]butan-1-one
CID 121154833
(4-cyclopropylidenepiperidin-1-yl)-(3,5-ditert-butylphenyl)methanone
CID 121186919
2-fluoro-N-[3-[3-(triazol-1-yl)azetidine-1-carbonyl]phenyl]benzenesulfonamide
CID 121154747
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 121154699

Frequently Asked Questions

What is the IUPAC name of (3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone (CID 121154730) is (3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone is CC(C)(C)c1cc(C(=O)N2CC(n3ccnn3)C2)cc(C(C)(C)C)c1.
What is the InChIKey of (3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is OHFWCIKCPFTODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-19(2,3)15-9-14(10-16(11-15)20(4,5)6)18(25)23-12-17(13-23)24-8-7-21-22-24/h7-11,17H,12-13H2,1-6H3.
What are the key properties of (3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
(3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 340.47 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 121154730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).