azetidin-1-yl-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone

C16H15N5O — CID 56784521

IUPACazetidin-1-yl-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC2)nnn1-c1ccc2ncccc2c1
InChIInChI=1S/C16H15N5O/c1-11-15(16(22)20-8-3-9-20)18-19-21(11)13-5-6-14-12(10-13)4-2-7-17-14/h2,4-7,10H,3,8-9H2,1H3
InChIKeyWXHAPYBBBXEEHL-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.97
Rot. Bonds2

About azetidin-1-yl-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone

azetidin-1-yl-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone (PubChem CID 56784521) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is azetidin-1-yl-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone
PubChem CID56784521
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Nameazetidin-1-yl-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC2)nnn1-c1ccc2ncccc2c1
InChIInChI=1S/C16H15N5O/c1-11-15(16(22)20-8-3-9-20)18-19-21(11)13-5-6-14-12(10-13)4-2-7-17-14/h2,4-7,10H,3,8-9H2,1H3
InChIKeyWXHAPYBBBXEEHL-UHFFFAOYSA-N
XLogP1.97
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Phenyl-3-(Quinolin-6-Ylmethyl)-3,5,6,7-Tetrahydro-4h-[1,2,3]triazolo[4,5-C]pyridin-4-One
CID 44512602
5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one
CID 44512934
N-(7-fluoroquinolin-3-yl)-2H-triazole-4-carboxamide
CID 122185526
US10344025, Example 170
CID 118640570
N-quinolin-3-yl-2H-triazole-4-carboxamide
CID 16663120
2-{1-(2-fluorophenyl)-4-[(4-phenyl-3,6-dihydropyridin-1(2H)-yl)carbonyl]-1H-1,2,3-triazol-5-yl}pyridine
CID 71793903
5-methyl-N-quinolin-6-ylpyrazine-2-carboxamide
CID 124087819
1H-1,2,3-Triazole-4-carboxamide, 5-methyl-N-phenyl-1-(4-quinolinyl)-
CID 3053679
5-methyl-N-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 37266142
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoxaline-2-carboxamide
CID 45797499
N-Butyl-1-(4-fluorophenyl)-N-methyl-5-(pyridin-4-YL)-1H-1,2,3-triazole-4-carboxamide
CID 53036926
N-Butyl-N-ethyl-1-(4-fluorophenyl)-5-(pyridin-4-YL)-1H-1,2,3-triazole-4-carboxamide
CID 53123541

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone?
The IUPAC name of azetidin-1-yl-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone (CID 56784521) is azetidin-1-yl-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone?
The canonical SMILES for azetidin-1-yl-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone is Cc1c(C(=O)N2CCC2)nnn1-c1ccc2ncccc2c1.
What is the InChIKey of azetidin-1-yl-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone?
The InChIKey is WXHAPYBBBXEEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-11-15(16(22)20-8-3-9-20)18-19-21(11)13-5-6-14-12(10-13)4-2-7-17-14/h2,4-7,10H,3,8-9H2,1H3.
What are the key properties of azetidin-1-yl-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone?
azetidin-1-yl-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone has a molecular weight of 293.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone is sourced from PubChem (CID 56784521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).