2H-benzotriazol-4-yl(furan-2-yl)methanone

C11H7N3O2 — CID 141194426

IUPAC2H-benzotriazol-4-yl(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1cccc2n[nH]nc12
InChIInChI=1S/C11H7N3O2/c15-11(9-5-2-6-16-9)7-3-1-4-8-10(7)13-14-12-8/h1-6H,(H,12,13,14)
InChIKeyCOBOCYXKJVNXAS-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.78
Rot. Bonds2

About 2H-benzotriazol-4-yl(furan-2-yl)methanone

2H-benzotriazol-4-yl(furan-2-yl)methanone (PubChem CID 141194426) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2H-benzotriazol-4-yl(furan-2-yl)methanone.

Molecular Properties

Compound Name2H-benzotriazol-4-yl(furan-2-yl)methanone
PubChem CID141194426
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name2H-benzotriazol-4-yl(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1cccc2n[nH]nc12
InChIInChI=1S/C11H7N3O2/c15-11(9-5-2-6-16-9)7-3-1-4-8-10(7)13-14-12-8/h1-6H,(H,12,13,14)
InChIKeyCOBOCYXKJVNXAS-UHFFFAOYSA-N
XLogP1.78
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2H-benzotriazol-4-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

2-furyl(5-phenyl-1H-1,2,3-triazol-4-yl)methanone
CID 6408752
Benzotriazolylmethylfuran
CID 129781672
3-Benzotriazolyl-4-benzoyl-2-phenylfuran
CID 129859999
furan-2-yl-[5-(4-methoxyphenyl)-2H-triazol-4-yl]methanone
CID 135058840
5-[7-(Furan-2-yl)-2-hexylbenzotriazol-4-yl]furan-2-carbaldehyde
CID 139260620
2-(4-Fluorophenyl)-5-(furan-2-yl)benzotriazole
CID 168526484
5-[2-(4-Fluorophenyl)-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde
CID 169332553
5-[2-(4-Fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde
CID 169333830
3H-Benzofuro[2,3-f]benzotriazole
CID 12008801
4-(1-Benzofuran-3-yl)-2,1,3-benzothiadiazole
CID 20069378
5-(1H-indazol-3-yl)furan-2-carbaldehyde
CID 54206842
7-phenyl-2H-furo[3,2-e]benzotriazole
CID 60013745

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-4-yl(furan-2-yl)methanone?
The IUPAC name of 2H-benzotriazol-4-yl(furan-2-yl)methanone (CID 141194426) is 2H-benzotriazol-4-yl(furan-2-yl)methanone.
What is the SMILES notation for 2H-benzotriazol-4-yl(furan-2-yl)methanone?
The canonical SMILES for 2H-benzotriazol-4-yl(furan-2-yl)methanone is O=C(c1ccco1)c1cccc2n[nH]nc12.
What is the InChIKey of 2H-benzotriazol-4-yl(furan-2-yl)methanone?
The InChIKey is COBOCYXKJVNXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c15-11(9-5-2-6-16-9)7-3-1-4-8-10(7)13-14-12-8/h1-6H,(H,12,13,14).
What are the key properties of 2H-benzotriazol-4-yl(furan-2-yl)methanone?
2H-benzotriazol-4-yl(furan-2-yl)methanone has a molecular weight of 213.20 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-4-yl(furan-2-yl)methanone is sourced from PubChem (CID 141194426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).