[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone

C22H22N4O2 — CID 121189969

IUPAC[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
SMILESCOc1cccc(-c2ccc(C(=O)N3CC(n4cc(C5CC5)nn4)C3)cc2)c1
InChIInChI=1S/C22H22N4O2/c1-28-20-4-2-3-18(11-20)15-5-9-17(10-6-15)22(27)25-12-19(13-25)26-14-21(23-24-26)16-7-8-16/h2-6,9-11,14,16,19H,7-8,12-13H2,1H3
InChIKeyKDHKGUXYNZYAEK-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.53
Rot. Bonds5

About [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone

[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone (PubChem CID 121189969) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
PubChem CID121189969
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
SMILESCOc1cccc(-c2ccc(C(=O)N3CC(n4cc(C5CC5)nn4)C3)cc2)c1
InChIInChI=1S/C22H22N4O2/c1-28-20-4-2-3-18(11-20)15-5-9-17(10-6-15)22(27)25-12-19(13-25)26-14-21(23-24-26)16-7-8-16/h2-6,9-11,14,16,19H,7-8,12-13H2,1H3
InChIKeyKDHKGUXYNZYAEK-UHFFFAOYSA-N
XLogP3.53
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide
CID 121190251
(4-methoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149874
(2-bromo-5-methoxyphenyl)-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121190470
(4-tert-butylphenyl)-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121190591
3-[3-(4-cyclopropyltriazol-1-yl)azetidine-1-carbonyl]-8-methoxychromen-2-one
CID 121190140
N-[4-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 124892607
[4-(3-methoxyphenyl)phenyl]-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
CID 72718885
(3-methoxyphenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 91892206
3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 121190717
[4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616349
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 121190542

Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone?
The IUPAC name of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone (CID 121189969) is [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone.
What is the SMILES notation for [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone?
The canonical SMILES for [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone is COc1cccc(-c2ccc(C(=O)N3CC(n4cc(C5CC5)nn4)C3)cc2)c1.
What is the InChIKey of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone?
The InChIKey is KDHKGUXYNZYAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-28-20-4-2-3-18(11-20)15-5-9-17(10-6-15)22(27)25-12-19(13-25)26-14-21(23-24-26)16-7-8-16/h2-6,9-11,14,16,19H,7-8,12-13H2,1H3.
What are the key properties of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone?
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone has a molecular weight of 374.44 g/mol, XLogP of 3.53, 5 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]-[4-(3-methoxyphenyl)phenyl]methanone is sourced from PubChem (CID 121189969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).