(3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone

C12H12N4O2 — CID 55178970

IUPAC(3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CC(O)C1
InChIInChI=1S/C12H12N4O2/c17-10-7-15(8-10)12(18)11-6-13-16(14-11)9-4-2-1-3-5-9/h1-6,10,17H,7-8H2
InChIKeySIRQJTMNTSJIOL-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.08
Rot. Bonds2

About (3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone

(3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone (PubChem CID 55178970) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone
PubChem CID55178970
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name(3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CC(O)C1
InChIInChI=1S/C12H12N4O2/c17-10-7-15(8-10)12(18)11-6-13-16(14-11)9-4-2-1-3-5-9/h1-6,10,17H,7-8H2
InChIKeySIRQJTMNTSJIOL-UHFFFAOYSA-N
XLogP0.08
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 120660181
1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63006198
[(3R)-3-aminopyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119412778
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 120745397
1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153964
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 115969425
1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900478
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 91814576
1,4-diazepan-1-yl-(2-phenyltriazol-4-yl)methanone
CID 28774472
(2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995171
[2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 111435926

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone (CID 55178970) is (3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone is O=C(c1cnn(-c2ccccc2)n1)N1CC(O)C1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone?
The InChIKey is SIRQJTMNTSJIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c17-10-7-15(8-10)12(18)11-6-13-16(14-11)9-4-2-1-3-5-9/h1-6,10,17H,7-8H2.
What are the key properties of (3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone?
(3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone has a molecular weight of 244.25 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 55178970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).