(2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone

C15H15BrN4O — CID 121190090

IUPAC(2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C15H15BrN4O/c16-13-4-2-1-3-12(13)15(21)19-7-11(8-19)20-9-14(17-18-20)10-5-6-10/h1-4,9-11H,5-8H2
InChIKeyQNWHXSVOOISNOX-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.62
Rot. Bonds3

About (2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone

(2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone (PubChem CID 121190090) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is (2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
PubChem CID121190090
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name(2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C15H15BrN4O/c16-13-4-2-1-3-12(13)15(21)19-7-11(8-19)20-9-14(17-18-20)10-5-6-10/h1-4,9-11H,5-8H2
InChIKeyQNWHXSVOOISNOX-UHFFFAOYSA-N
XLogP2.62
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-5-methoxyphenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121189954
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 121190064
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 121190416
(2-bromo-5-methoxyphenyl)-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121190470
1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121189888
3-(2-bromophenyl)-1-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 124760129
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one
CID 121189876
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121189861
(5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 124761305
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone
CID 121190211
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 121190560

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone (CID 121190090) is (2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone is O=C(c1ccccc1Br)N1CC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of (2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is QNWHXSVOOISNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c16-13-4-2-1-3-12(13)15(21)19-7-11(8-19)20-9-14(17-18-20)10-5-6-10/h1-4,9-11H,5-8H2.
What are the key properties of (2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone?
(2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 347.22 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 121190090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).