benzotriazol-1-yl(furan-2-yl)methanone

C11H7N3O2 — CID 792914

IUPACbenzotriazol-1-yl(furan-2-yl)methanone
SMILESO=C(c1ccco1)n1nnc2ccccc21
InChIInChI=1S/C11H7N3O2/c15-11(10-6-3-7-16-10)14-9-5-2-1-4-8(9)12-13-14/h1-7H
InChIKeyAFORMRZDGRLVBW-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.71
Rot. Bonds1

About benzotriazol-1-yl(furan-2-yl)methanone

benzotriazol-1-yl(furan-2-yl)methanone (PubChem CID 792914) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is benzotriazol-1-yl(furan-2-yl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl(furan-2-yl)methanone
PubChem CID792914
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Namebenzotriazol-1-yl(furan-2-yl)methanone
SMILESO=C(c1ccco1)n1nnc2ccccc21
InChIInChI=1S/C11H7N3O2/c15-11(10-6-3-7-16-10)14-9-5-2-1-4-8(9)12-13-14/h1-7H
InChIKeyAFORMRZDGRLVBW-UHFFFAOYSA-N
XLogP1.71
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzotriazol-1-yl(furan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Benzotriazol-1-yl-piperidin-1-yl)-furan-2-yl-methanone
CID 652257
(2-Amino-benzoimidazol-1-yl)-furan-2-yl-methanone
CID 1088436
Furan-2-carboxylic acid (2-phenyl-2H-benzotriazol-5-yl)-amide
CID 3126582
Benzotriazol-1-yl-(5-bromofuran-2-yl)methanone
CID 871570
Furan-2-carboxylic acid (4-benzotriazol-1-ylmethyl-phenyl)-amide
CID 645142
N-(furan-2-ylmethyl)benzotriazole-1-carboxamide
CID 58271154
1-Benzofuran-2-yl(benzotriazol-1-yl)methanone
CID 2365243
Cambridge id 6226855
CID 711913
1-(2-furoyl)-2-methyl-1H-benzimidazole
CID 791341
2-(Benzotriazol-1-yl)-3-furyl-acrylonitrile
CID 6474531
2-(Benzotriazol-1-ylmethyl)furan
CID 3724645
N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-2-furamide
CID 952245

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl(furan-2-yl)methanone?
The IUPAC name of benzotriazol-1-yl(furan-2-yl)methanone (CID 792914) is benzotriazol-1-yl(furan-2-yl)methanone.
What is the SMILES notation for benzotriazol-1-yl(furan-2-yl)methanone?
The canonical SMILES for benzotriazol-1-yl(furan-2-yl)methanone is O=C(c1ccco1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl(furan-2-yl)methanone?
The InChIKey is AFORMRZDGRLVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c15-11(10-6-3-7-16-10)14-9-5-2-1-4-8(9)12-13-14/h1-7H.
What are the key properties of benzotriazol-1-yl(furan-2-yl)methanone?
benzotriazol-1-yl(furan-2-yl)methanone has a molecular weight of 213.20 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl(furan-2-yl)methanone is sourced from PubChem (CID 792914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).