5-(furan-2-yl)-2H-benzotriazole

C10H7N3O — CID 141456337

IUPAC5-(furan-2-yl)-2H-benzotriazole
SMILESc1coc(-c2ccc3n[nH]nc3c2)c1
InChIInChI=1S/C10H7N3O/c1-2-10(14-5-1)7-3-4-8-9(6-7)12-13-11-8/h1-6H,(H,11,12,13)
InChIKeyBBDOYUDREBYPHW-UHFFFAOYSA-N
MW185.19 g/mol
LogP2.22
Rot. Bonds1

About 5-(furan-2-yl)-2H-benzotriazole

5-(furan-2-yl)-2H-benzotriazole (PubChem CID 141456337) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 5-(furan-2-yl)-2H-benzotriazole.

Molecular Properties

Compound Name5-(furan-2-yl)-2H-benzotriazole
PubChem CID141456337
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name5-(furan-2-yl)-2H-benzotriazole
SMILESc1coc(-c2ccc3n[nH]nc3c2)c1
InChIInChI=1S/C10H7N3O/c1-2-10(14-5-1)7-3-4-8-9(6-7)12-13-11-8/h1-6H,(H,11,12,13)
InChIKeyBBDOYUDREBYPHW-UHFFFAOYSA-N
XLogP2.22
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9a-butyl-6-furan-2-yl-8,9,9a,10-tetrahydro-3H-1,2,3-triaza-cyclopenta[a]fluoren-7-one
CID 9946229
N-(furan-2-ylmethyl)-N-methyl-2H-benzotriazole-5-carboxamide
CID 18126082
Benzotriazolylmethylfuran
CID 129781672
3-Benzotriazolyl-4-benzoyl-2-phenylfuran
CID 129859999
2-(4-Fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole
CID 168525214
2-(4-Fluorophenyl)-5-(furan-2-yl)benzotriazole
CID 168526484
2-[3-(Furan-2-yl)-5-(2,2,2-trifluoroethoxy)phenyl]benzotriazole
CID 168526986
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
phenyl 2H-benzotriazole-5-carboxylate
CID 6401439
(4-methylphenyl) 2H-benzotriazole-5-carboxylate
CID 9856376
3H-Benzofuro[2,3-f]benzotriazole
CID 12008801

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2H-benzotriazole?
The IUPAC name of 5-(furan-2-yl)-2H-benzotriazole (CID 141456337) is 5-(furan-2-yl)-2H-benzotriazole.
What is the SMILES notation for 5-(furan-2-yl)-2H-benzotriazole?
The canonical SMILES for 5-(furan-2-yl)-2H-benzotriazole is c1coc(-c2ccc3n[nH]nc3c2)c1.
What is the InChIKey of 5-(furan-2-yl)-2H-benzotriazole?
The InChIKey is BBDOYUDREBYPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-2-10(14-5-1)7-3-4-8-9(6-7)12-13-11-8/h1-6H,(H,11,12,13).
What are the key properties of 5-(furan-2-yl)-2H-benzotriazole?
5-(furan-2-yl)-2H-benzotriazole has a molecular weight of 185.19 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2H-benzotriazole is sourced from PubChem (CID 141456337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).