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

C15H14Cl2N4O — CID 121190064

IUPAC[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C15H14Cl2N4O/c16-10-3-4-12(13(17)5-10)15(22)20-6-11(7-20)21-8-14(18-19-21)9-1-2-9/h3-5,8-9,11H,1-2,6-7H2
InChIKeyNDSBWJHEPCWPDM-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.16
Rot. Bonds3

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

[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(2,4-dichlorophenyl)methanone (PubChem CID 121190064) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(2,4-dichlorophenyl)methanone
PubChem CID121190064
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC Name[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C15H14Cl2N4O/c16-10-3-4-12(13(17)5-10)15(22)20-6-11(7-20)21-8-14(18-19-21)9-1-2-9/h3-5,8-9,11H,1-2,6-7H2
InChIKeyNDSBWJHEPCWPDM-UHFFFAOYSA-N
XLogP3.16
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 121190560
(2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121190090
(2-bromo-5-methoxyphenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121189954
(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671362
1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121189888
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
3-[3-(4-cyclopropyltriazol-1-yl)azetidine-1-carbonyl]-8-methoxychromen-2-one
CID 121190140
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 121189855
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 121190416
(2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662344
(2-bromo-5-methoxyphenyl)-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121190470
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
CID 121189969

Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(2,4-dichlorophenyl)methanone (CID 121190064) is [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(2,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)cc1Cl)N1CC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(2,4-dichlorophenyl)methanone?
The InChIKey is NDSBWJHEPCWPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c16-10-3-4-12(13(17)5-10)15(22)20-6-11(7-20)21-8-14(18-19-21)9-1-2-9/h3-5,8-9,11H,1-2,6-7H2.
What are the key properties of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(2,4-dichlorophenyl)methanone?
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(2,4-dichlorophenyl)methanone has a molecular weight of 337.21 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 121190064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).