2H-benzotriazol-5-ylmethanol

C7H7N3O — CID 6412338

IUPAC2H-benzotriazol-5-ylmethanol
SMILESOCc1ccc2n[nH]nc2c1
InChIInChI=1S/C7H7N3O/c11-4-5-1-2-6-7(3-5)9-10-8-6/h1-3,11H,4H2,(H,8,9,10)
InChIKeyUWJOSAIHEQFOID-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.45
Rot. Bonds1

About 2H-benzotriazol-5-ylmethanol

2H-benzotriazol-5-ylmethanol (PubChem CID 6412338) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 2H-benzotriazol-5-ylmethanol.

Molecular Properties

Compound Name2H-benzotriazol-5-ylmethanol
PubChem CID6412338
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name2H-benzotriazol-5-ylmethanol
SMILESOCc1ccc2n[nH]nc2c1
InChIInChI=1S/C7H7N3O/c11-4-5-1-2-6-7(3-5)9-10-8-6/h1-3,11H,4H2,(H,8,9,10)
InChIKeyUWJOSAIHEQFOID-UHFFFAOYSA-N
XLogP0.45
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-ylmethanol?
The IUPAC name of 2H-benzotriazol-5-ylmethanol (CID 6412338) is 2H-benzotriazol-5-ylmethanol.
What is the SMILES notation for 2H-benzotriazol-5-ylmethanol?
The canonical SMILES for 2H-benzotriazol-5-ylmethanol is OCc1ccc2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazol-5-ylmethanol?
The InChIKey is UWJOSAIHEQFOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c11-4-5-1-2-6-7(3-5)9-10-8-6/h1-3,11H,4H2,(H,8,9,10).
What are the key properties of 2H-benzotriazol-5-ylmethanol?
2H-benzotriazol-5-ylmethanol has a molecular weight of 149.15 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-ylmethanol is sourced from PubChem (CID 6412338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).