1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one

C18H21N5O2 — CID 154752193

IUPAC1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one
SMILESCC(O)c1cn(C2CN(C(=O)CCc3ccc4[nH]ccc4c3)C2)nn1
InChIInChI=1S/C18H21N5O2/c1-12(24)17-11-23(21-20-17)15-9-22(10-15)18(25)5-3-13-2-4-16-14(8-13)6-7-19-16/h2,4,6-8,11-12,15,19,24H,3,5,9-10H2,1H3
InChIKeyDLCSPLCMQVZHJY-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.83
Rot. Bonds5

About 1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one

1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one (PubChem CID 154752193) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one
PubChem CID154752193
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one
SMILESCC(O)c1cn(C2CN(C(=O)CCc3ccc4[nH]ccc4c3)C2)nn1
InChIInChI=1S/C18H21N5O2/c1-12(24)17-11-23(21-20-17)15-9-22(10-15)18(25)5-3-13-2-4-16-14(8-13)6-7-19-16/h2,4,6-8,11-12,15,19,24H,3,5,9-10H2,1H3
InChIKeyDLCSPLCMQVZHJY-UHFFFAOYSA-N
XLogP1.83
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one with MolForge

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Related Compounds

1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one
CID 110023702
1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid
CID 120512524
1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 31134867
3-(3-bromophenoxy)-1-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]propan-1-one
CID 97342690
1-(1H-indol-5-yl)-4-methylpentan-3-one
CID 22572822
2-(2-chlorophenyl)sulfanyl-1-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]ethanone
CID 97342694
1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 154752185
3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one
CID 166307850
ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
(1-benzyl-2,5-dimethylpyrrol-3-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone
CID 75473495
3-(1H-indol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 75444249
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one
CID 121189876

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one?
The IUPAC name of 1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one (CID 154752193) is 1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one.
What is the SMILES notation for 1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one?
The canonical SMILES for 1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one is CC(O)c1cn(C2CN(C(=O)CCc3ccc4[nH]ccc4c3)C2)nn1.
What is the InChIKey of 1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one?
The InChIKey is DLCSPLCMQVZHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12(24)17-11-23(21-20-17)15-9-22(10-15)18(25)5-3-13-2-4-16-14(8-13)6-7-19-16/h2,4,6-8,11-12,15,19,24H,3,5,9-10H2,1H3.
What are the key properties of 1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one?
1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one has a molecular weight of 339.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one is sourced from PubChem (CID 154752193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).