(2-chlorofuran-3-yl)-(3-phenyltriazol-4-yl)methanone

C13H8ClN3O2 — CID 106691299

IUPAC(2-chlorofuran-3-yl)-(3-phenyltriazol-4-yl)methanone
SMILESO=C(c1ccoc1Cl)c1cnnn1-c1ccccc1
InChIInChI=1S/C13H8ClN3O2/c14-13-10(6-7-19-13)12(18)11-8-15-16-17(11)9-4-2-1-3-5-9/h1-8H
InChIKeyRUTCERRFBSYUAL-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.74
Rot. Bonds3

About (2-chlorofuran-3-yl)-(3-phenyltriazol-4-yl)methanone

(2-chlorofuran-3-yl)-(3-phenyltriazol-4-yl)methanone (PubChem CID 106691299) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(3-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(3-phenyltriazol-4-yl)methanone
PubChem CID106691299
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name(2-chlorofuran-3-yl)-(3-phenyltriazol-4-yl)methanone
SMILESO=C(c1ccoc1Cl)c1cnnn1-c1ccccc1
InChIInChI=1S/C13H8ClN3O2/c14-13-10(6-7-19-13)12(18)11-8-15-16-17(11)9-4-2-1-3-5-9/h1-8H
InChIKeyRUTCERRFBSYUAL-UHFFFAOYSA-N
XLogP2.74
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(3-phenyltriazol-4-yl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(3-phenyltriazol-4-yl)methanone (CID 106691299) is (2-chlorofuran-3-yl)-(3-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(3-phenyltriazol-4-yl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(3-phenyltriazol-4-yl)methanone is O=C(c1ccoc1Cl)c1cnnn1-c1ccccc1.
What is the InChIKey of (2-chlorofuran-3-yl)-(3-phenyltriazol-4-yl)methanone?
The InChIKey is RUTCERRFBSYUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-13-10(6-7-19-13)12(18)11-8-15-16-17(11)9-4-2-1-3-5-9/h1-8H.
What are the key properties of (2-chlorofuran-3-yl)-(3-phenyltriazol-4-yl)methanone?
(2-chlorofuran-3-yl)-(3-phenyltriazol-4-yl)methanone has a molecular weight of 273.68 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(3-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 106691299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).