7-methyl-2H-benzotriazol-5-ol

C7H7N3O — CID 139788702

IUPAC7-methyl-2H-benzotriazol-5-ol
SMILESCc1cc(O)cc2n[nH]nc12
InChIInChI=1S/C7H7N3O/c1-4-2-5(11)3-6-7(4)9-10-8-6/h2-3,11H,1H3,(H,8,9,10)
InChIKeyVKBLQLFCBLTVFU-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.97
Rot. Bonds

About 7-methyl-2H-benzotriazol-5-ol

7-methyl-2H-benzotriazol-5-ol (PubChem CID 139788702) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 7-methyl-2H-benzotriazol-5-ol.

Molecular Properties

Compound Name7-methyl-2H-benzotriazol-5-ol
PubChem CID139788702
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name7-methyl-2H-benzotriazol-5-ol
SMILESCc1cc(O)cc2n[nH]nc12
InChIInChI=1S/C7H7N3O/c1-4-2-5(11)3-6-7(4)9-10-8-6/h2-3,11H,1H3,(H,8,9,10)
InChIKeyVKBLQLFCBLTVFU-UHFFFAOYSA-N
XLogP0.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2H-benzotriazol-5-ol?
The IUPAC name of 7-methyl-2H-benzotriazol-5-ol (CID 139788702) is 7-methyl-2H-benzotriazol-5-ol.
What is the SMILES notation for 7-methyl-2H-benzotriazol-5-ol?
The canonical SMILES for 7-methyl-2H-benzotriazol-5-ol is Cc1cc(O)cc2n[nH]nc12.
What is the InChIKey of 7-methyl-2H-benzotriazol-5-ol?
The InChIKey is VKBLQLFCBLTVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-4-2-5(11)3-6-7(4)9-10-8-6/h2-3,11H,1H3,(H,8,9,10).
What are the key properties of 7-methyl-2H-benzotriazol-5-ol?
7-methyl-2H-benzotriazol-5-ol has a molecular weight of 149.15 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2H-benzotriazol-5-ol is sourced from PubChem (CID 139788702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).