5-(furan-2-yl)-1-methylbenzotriazole

C11H9N3O — CID 168525527

IUPAC5-(furan-2-yl)-1-methylbenzotriazole
SMILESCn1nnc2cc(-c3ccco3)ccc21
InChIInChI=1S/C11H9N3O/c1-14-10-5-4-8(7-9(10)12-13-14)11-3-2-6-15-11/h2-7H,1H3
InChIKeyDDBWBTBFPWFNSQ-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.23
Rot. Bonds1

About 5-(furan-2-yl)-1-methylbenzotriazole

5-(furan-2-yl)-1-methylbenzotriazole (PubChem CID 168525527) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-methylbenzotriazole.

Molecular Properties

Compound Name5-(furan-2-yl)-1-methylbenzotriazole
PubChem CID168525527
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name5-(furan-2-yl)-1-methylbenzotriazole
SMILESCn1nnc2cc(-c3ccco3)ccc21
InChIInChI=1S/C11H9N3O/c1-14-10-5-4-8(7-9(10)12-13-14)11-3-2-6-15-11/h2-7H,1H3
InChIKeyDDBWBTBFPWFNSQ-UHFFFAOYSA-N
XLogP2.23
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole
CID 168526896
1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine
CID 117328812
7-(furan-2-yl)-N-methylquinolin-4-amine
CID 70881123
1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole
CID 168525844
1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea
CID 893567
5-(2-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 53095215
CID 68739763
CID 68739763
5-(furan-2-yl)-N,2-dimethylaniline
CID 68654005
copper;tetrakis(1-methylbenzotriazole);hydrate
CID 5259674
2-butyl-5-(furan-2-yl)-1,3-benzoxazole
CID 168526990
2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione
CID 168527569
1-methylbenzotriazole-5-sulfonyl chloride
CID 83671062

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-methylbenzotriazole?
The IUPAC name of 5-(furan-2-yl)-1-methylbenzotriazole (CID 168525527) is 5-(furan-2-yl)-1-methylbenzotriazole.
What is the SMILES notation for 5-(furan-2-yl)-1-methylbenzotriazole?
The canonical SMILES for 5-(furan-2-yl)-1-methylbenzotriazole is Cn1nnc2cc(-c3ccco3)ccc21.
What is the InChIKey of 5-(furan-2-yl)-1-methylbenzotriazole?
The InChIKey is DDBWBTBFPWFNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-14-10-5-4-8(7-9(10)12-13-14)11-3-2-6-15-11/h2-7H,1H3.
What are the key properties of 5-(furan-2-yl)-1-methylbenzotriazole?
5-(furan-2-yl)-1-methylbenzotriazole has a molecular weight of 199.21 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-methylbenzotriazole is sourced from PubChem (CID 168525527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).