4-(furan-2-yl)-2-methylbenzotriazole

C11H9N3O — CID 168525140

IUPAC4-(furan-2-yl)-2-methylbenzotriazole
SMILESCn1nc2cccc(-c3ccco3)c2n1
InChIInChI=1S/C11H9N3O/c1-14-12-9-5-2-4-8(11(9)13-14)10-6-3-7-15-10/h2-7H,1H3
InChIKeyNWHDQHZPXJENOQ-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.23
Rot. Bonds1

About 4-(furan-2-yl)-2-methylbenzotriazole

4-(furan-2-yl)-2-methylbenzotriazole (PubChem CID 168525140) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-methylbenzotriazole.

Molecular Properties

Compound Name4-(furan-2-yl)-2-methylbenzotriazole
PubChem CID168525140
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name4-(furan-2-yl)-2-methylbenzotriazole
SMILESCn1nc2cccc(-c3ccco3)c2n1
InChIInChI=1S/C11H9N3O/c1-14-12-9-5-2-4-8(11(9)13-14)10-6-3-7-15-10/h2-7H,1H3
InChIKeyNWHDQHZPXJENOQ-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

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
(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
5-[7-(5-Bromofuran-2-yl)-2-hexylbenzotriazol-4-yl]furan-2-carbaldehyde
CID 139260625
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
Phenoxycarbonylbenzotriazole
CID 9834635
2-(Furan-2-yl)-5-methylbenzotriazole
CID 57711736

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-methylbenzotriazole?
The IUPAC name of 4-(furan-2-yl)-2-methylbenzotriazole (CID 168525140) is 4-(furan-2-yl)-2-methylbenzotriazole.
What is the SMILES notation for 4-(furan-2-yl)-2-methylbenzotriazole?
The canonical SMILES for 4-(furan-2-yl)-2-methylbenzotriazole is Cn1nc2cccc(-c3ccco3)c2n1.
What is the InChIKey of 4-(furan-2-yl)-2-methylbenzotriazole?
The InChIKey is NWHDQHZPXJENOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-14-12-9-5-2-4-8(11(9)13-14)10-6-3-7-15-10/h2-7H,1H3.
What are the key properties of 4-(furan-2-yl)-2-methylbenzotriazole?
4-(furan-2-yl)-2-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 4-(furan-2-yl)-2-methylbenzotriazole is sourced from PubChem (CID 168525140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).