4-methoxy-2H-benzotriazole

C7H7N3O — CID 590941

IUPAC4-methoxy-2H-benzotriazole
SMILESCOc1cccc2n[nH]nc12
InChIInChI=1S/C7H7N3O/c1-11-6-4-2-3-5-7(6)9-10-8-5/h2-4H,1H3,(H,8,9,10)
InChIKeyBFBZLCUTOUZMLJ-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.97
Rot. Bonds1

About 4-methoxy-2H-benzotriazole

4-methoxy-2H-benzotriazole (PubChem CID 590941) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 4-methoxy-2H-benzotriazole.

Molecular Properties

Compound Name4-methoxy-2H-benzotriazole
PubChem CID590941
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name4-methoxy-2H-benzotriazole
SMILESCOc1cccc2n[nH]nc12
InChIInChI=1S/C7H7N3O/c1-11-6-4-2-3-5-7(6)9-10-8-5/h2-4H,1H3,(H,8,9,10)
InChIKeyBFBZLCUTOUZMLJ-UHFFFAOYSA-N
XLogP0.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2H-benzotriazole?
The IUPAC name of 4-methoxy-2H-benzotriazole (CID 590941) is 4-methoxy-2H-benzotriazole.
What is the SMILES notation for 4-methoxy-2H-benzotriazole?
The canonical SMILES for 4-methoxy-2H-benzotriazole is COc1cccc2n[nH]nc12.
What is the InChIKey of 4-methoxy-2H-benzotriazole?
The InChIKey is BFBZLCUTOUZMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-11-6-4-2-3-5-7(6)9-10-8-5/h2-4H,1H3,(H,8,9,10).
What are the key properties of 4-methoxy-2H-benzotriazole?
4-methoxy-2H-benzotriazole has a molecular weight of 149.15 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2H-benzotriazole is sourced from PubChem (CID 590941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).