3-(4-cyclopropyltriazol-1-yl)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide

C17H21N5O3 — CID 121190251

IUPAC3-(4-cyclopropyltriazol-1-yl)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC(n3cc(C4CC4)nn3)C2)cc(OC)c1
InChIInChI=1S/C17H21N5O3/c1-24-14-5-12(6-15(7-14)25-2)18-17(23)21-8-13(9-21)22-10-16(19-20-22)11-3-4-11/h5-7,10-11,13H,3-4,8-9H2,1-2H3,(H,18,23)
InChIKeyABIBGVMZPLRPFU-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.26
Rot. Bonds5

About 3-(4-cyclopropyltriazol-1-yl)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide

3-(4-cyclopropyltriazol-1-yl)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide (PubChem CID 121190251) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-(4-cyclopropyltriazol-1-yl)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-cyclopropyltriazol-1-yl)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide
PubChem CID121190251
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name3-(4-cyclopropyltriazol-1-yl)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC(n3cc(C4CC4)nn3)C2)cc(OC)c1
InChIInChI=1S/C17H21N5O3/c1-24-14-5-12(6-15(7-14)25-2)18-17(23)21-8-13(9-21)22-10-16(19-20-22)11-3-4-11/h5-7,10-11,13H,3-4,8-9H2,1-2H3,(H,18,23)
InChIKeyABIBGVMZPLRPFU-UHFFFAOYSA-N
XLogP2.26
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 121190717
(2-bromo-5-methoxyphenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121189954
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
(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
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 121190416
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 121189855
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 121190579
3-[3-(4-cyclopropyltriazol-1-yl)azetidine-1-carbonyl]-8-methoxychromen-2-one
CID 121190140
1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032599
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 121190644

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyltriazol-1-yl)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(4-cyclopropyltriazol-1-yl)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide (CID 121190251) is 3-(4-cyclopropyltriazol-1-yl)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-cyclopropyltriazol-1-yl)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(4-cyclopropyltriazol-1-yl)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide is COc1cc(NC(=O)N2CC(n3cc(C4CC4)nn3)C2)cc(OC)c1.
What is the InChIKey of 3-(4-cyclopropyltriazol-1-yl)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide?
The InChIKey is ABIBGVMZPLRPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-24-14-5-12(6-15(7-14)25-2)18-17(23)21-8-13(9-21)22-10-16(19-20-22)11-3-4-11/h5-7,10-11,13H,3-4,8-9H2,1-2H3,(H,18,23).
What are the key properties of 3-(4-cyclopropyltriazol-1-yl)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide?
3-(4-cyclopropyltriazol-1-yl)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyltriazol-1-yl)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 121190251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).