(5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone

C15H16N4O2 — CID 75428023

IUPAC(5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1nnn(-c2ccccc2)c1C1CC1)N1CC(O)C1
InChIInChI=1S/C15H16N4O2/c20-12-8-18(9-12)15(21)13-14(10-6-7-10)19(17-16-13)11-4-2-1-3-5-11/h1-5,10,12,20H,6-9H2
InChIKeyXVDYMIDSFSYPJR-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.96
Rot. Bonds3

About (5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone

(5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 75428023) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is (5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
PubChem CID75428023
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name(5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1nnn(-c2ccccc2)c1C1CC1)N1CC(O)C1
InChIInChI=1S/C15H16N4O2/c20-12-8-18(9-12)15(21)13-14(10-6-7-10)19(17-16-13)11-4-2-1-3-5-11/h1-5,10,12,20H,6-9H2
InChIKeyXVDYMIDSFSYPJR-UHFFFAOYSA-N
XLogP0.96
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 86874602
(5-cyclopropyl-1-phenyltriazol-4-yl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56572067
[1-(4-bromophenyl)-5-cyclopropyltriazol-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 56519274
5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid
CID 43325185
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 51933899
3-[[1-(4-bromophenyl)-5-cyclopropyltriazole-4-carbonyl]amino]butanoic acid
CID 119221057
5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide
CID 172994889
2-[(5-cyclopropyl-1-phenyltriazol-4-yl)methyl-methylamino]propanoic acid
CID 167944477
5-cyclobutyl-1-(2-fluorophenyl)triazole-4-carboxylic acid
CID 82201402
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide
CID 166193644
(3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124697850
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 120657503

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone (CID 75428023) is (5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone is O=C(c1nnn(-c2ccccc2)c1C1CC1)N1CC(O)C1.
What is the InChIKey of (5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is XVDYMIDSFSYPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-12-8-18(9-12)15(21)13-14(10-6-7-10)19(17-16-13)11-4-2-1-3-5-11/h1-5,10,12,20H,6-9H2.
What are the key properties of (5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone?
(5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 284.32 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 75428023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).