[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone

C18H20N4O2 — CID 121190211

IUPAC[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone
SMILESO=C(C1CCc2ccccc2O1)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C18H20N4O2/c23-18(17-8-7-13-3-1-2-4-16(13)24-17)21-9-14(10-21)22-11-15(19-20-22)12-5-6-12/h1-4,11-12,14,17H,5-10H2
InChIKeyJHQLKJLRTPIZDJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.93
Rot. Bonds3

About [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone

[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone (PubChem CID 121190211) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone
PubChem CID121190211
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone
SMILESO=C(C1CCc2ccccc2O1)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C18H20N4O2/c23-18(17-8-7-13-3-1-2-4-16(13)24-17)21-9-14(10-21)22-11-15(19-20-22)12-5-6-12/h1-4,11-12,14,17H,5-10H2
InChIKeyJHQLKJLRTPIZDJ-UHFFFAOYSA-N
XLogP1.93
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-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

3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 126900108
(2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121190090
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one
CID 121189876
1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121189888
[(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 95725078
2-(benzimidazol-1-yl)-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone
CID 121190056
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 121189855
2-(1,3-benzodioxol-5-yl)-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone
CID 121190121
3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121190256
3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122334181
[(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 97437981

Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone?
The IUPAC name of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone (CID 121190211) is [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone.
What is the SMILES notation for [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone?
The canonical SMILES for [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone is O=C(C1CCc2ccccc2O1)N1CC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone?
The InChIKey is JHQLKJLRTPIZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-18(17-8-7-13-3-1-2-4-16(13)24-17)21-9-14(10-21)22-11-15(19-20-22)12-5-6-12/h1-4,11-12,14,17H,5-10H2.
What are the key properties of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone?
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone has a molecular weight of 324.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone is sourced from PubChem (CID 121190211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).