1-(furan-2-ylmethyl)benzotriazole

C11H9N3O — CID 3724645

IUPAC1-(furan-2-ylmethyl)benzotriazole
SMILESc1coc(Cn2nnc3ccccc32)c1
InChIInChI=1S/C11H9N3O/c1-2-6-11-10(5-1)12-13-14(11)8-9-4-3-7-15-9/h1-7H,8H2
InChIKeyAASRECCXEJTJGD-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.07
Rot. Bonds2

About 1-(furan-2-ylmethyl)benzotriazole

1-(furan-2-ylmethyl)benzotriazole (PubChem CID 3724645) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)benzotriazole.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)benzotriazole
PubChem CID3724645
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name1-(furan-2-ylmethyl)benzotriazole
SMILESc1coc(Cn2nnc3ccccc32)c1
InChIInChI=1S/C11H9N3O/c1-2-6-11-10(5-1)12-13-14(11)8-9-4-3-7-15-9/h1-7H,8H2
InChIKeyAASRECCXEJTJGD-UHFFFAOYSA-N
XLogP2.07
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Furoyl)-1H-benzotriazole
CID 792914
2-(1H-benzotriazol-1-yl)-N'-[(1E)-1-(furan-2-yl)ethylidene]acetohydrazide
CID 9593598
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(1-(2-furyl)ethylidene)propanohydrazide
CID 9615773
(4-Benzotriazol-1-yl-piperidin-1-yl)-furan-2-yl-methanone
CID 652257
2-(1H-1,2,3-benzotriazol-1-yl)-N'-[(5-methyl-2-furyl)methylene]acetohydrazide
CID 5412738
2-[4-(5-Fluoro-benzotriazol-1-yl)-piperidin-1-yl]-N-furan-2-ylmethyl-acetamide
CID 6602598
(1-Allyl-1H-benzoimidazol-2-yl)-furan-2-ylmethyl-amine
CID 3163617
Benzotriazol-1-yl-(5-bromofuran-2-yl)methanone
CID 871570
Furan-2-carboxylic acid (4-benzotriazol-1-ylmethyl-phenyl)-amide
CID 645142
N-(2-furylmethyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide
CID 977007
2-[(2-Benzotriazol-1-yl-acetyl)-benzyl-amino]-N-furan-2-ylmethyl-2-phenyl-acetamide
CID 3206357
N-(furan-2-ylmethyl)benzotriazole-1-carboxamide
CID 58271154

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)benzotriazole?
The IUPAC name of 1-(furan-2-ylmethyl)benzotriazole (CID 3724645) is 1-(furan-2-ylmethyl)benzotriazole.
What is the SMILES notation for 1-(furan-2-ylmethyl)benzotriazole?
The canonical SMILES for 1-(furan-2-ylmethyl)benzotriazole is c1coc(Cn2nnc3ccccc32)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)benzotriazole?
The InChIKey is AASRECCXEJTJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-2-6-11-10(5-1)12-13-14(11)8-9-4-3-7-15-9/h1-7H,8H2.
What are the key properties of 1-(furan-2-ylmethyl)benzotriazole?
1-(furan-2-ylmethyl)benzotriazole has a molecular weight of 199.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)benzotriazole is sourced from PubChem (CID 3724645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).