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

C10H7N3O — CID 168525301

IUPAC4-(furan-2-yl)-2H-benzotriazole
SMILESc1coc(-c2cccc3n[nH]nc23)c1
InChIInChI=1S/C10H7N3O/c1-3-7(9-5-2-6-14-9)10-8(4-1)11-13-12-10/h1-6H,(H,11,12,13)
InChIKeyGDQJUBNRLBSCNO-UHFFFAOYSA-N
MW185.19 g/mol
LogP2.22
Rot. Bonds1

About 4-(furan-2-yl)-2H-benzotriazole

4-(furan-2-yl)-2H-benzotriazole (PubChem CID 168525301) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 4-(furan-2-yl)-2H-benzotriazole.

Molecular Properties

Compound Name4-(furan-2-yl)-2H-benzotriazole
PubChem CID168525301
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name4-(furan-2-yl)-2H-benzotriazole
SMILESc1coc(-c2cccc3n[nH]nc23)c1
InChIInChI=1S/C10H7N3O/c1-3-7(9-5-2-6-14-9)10-8(4-1)11-13-12-10/h1-6H,(H,11,12,13)
InChIKeyGDQJUBNRLBSCNO-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

Analyze 4-(furan-2-yl)-2H-benzotriazole 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

9a-butyl-6-furan-2-yl-8,9,9a,10-tetrahydro-3H-1,2,3-triaza-cyclopenta[a]fluoren-7-one
CID 9946229
4,7-Di(furan-2-yl)benzo(c)(1,2,5)thiadiazole
CID 71261032
4,7-Di(furan-2-yl)benzo[c][1,2,5]oxadiazole
CID 102308075
Benzotriazolylmethylfuran
CID 129781672
3-Benzotriazolyl-4-benzoyl-2-phenylfuran
CID 129859999
(4,7-Di(furan-2-yl)benzo[c][1,2,5]telluradiazole)
CID 138376979
4,7-Bis(furan-2-yl)-2-hexylbenzotriazole
CID 139260616
5-[7-(Furan-2-yl)-2-hexylbenzotriazol-4-yl]furan-2-carbaldehyde
CID 139260620
2-(4-Fluorophenyl)-5-(furan-2-yl)benzotriazole
CID 168526484
2-[3-(Furan-2-yl)-5-(2,2,2-trifluoroethoxy)phenyl]benzotriazole
CID 168526986
Phenoxycarbonylbenzotriazole
CID 9834635
3H-Benzofuro[2,3-f]benzotriazole
CID 12008801

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2H-benzotriazole?
The IUPAC name of 4-(furan-2-yl)-2H-benzotriazole (CID 168525301) is 4-(furan-2-yl)-2H-benzotriazole.
What is the SMILES notation for 4-(furan-2-yl)-2H-benzotriazole?
The canonical SMILES for 4-(furan-2-yl)-2H-benzotriazole is c1coc(-c2cccc3n[nH]nc23)c1.
What is the InChIKey of 4-(furan-2-yl)-2H-benzotriazole?
The InChIKey is GDQJUBNRLBSCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-3-7(9-5-2-6-14-9)10-8(4-1)11-13-12-10/h1-6H,(H,11,12,13).
What are the key properties of 4-(furan-2-yl)-2H-benzotriazole?
4-(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 4-(furan-2-yl)-2H-benzotriazole is sourced from PubChem (CID 168525301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).