4-(2-methyltetrazol-5-yl)benzene-1,2-diol

C8H8N4O2 — CID 135648958

IUPAC4-(2-methyltetrazol-5-yl)benzene-1,2-diol
SMILESCn1nnc(-c2ccc(O)c(O)c2)n1
InChIInChI=1S/C8H8N4O2/c1-12-10-8(9-11-12)5-2-3-6(13)7(14)4-5/h2-4,13-14H,1H3
InChIKeyKWOMBEZUYJKPHE-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.29
Rot. Bonds1

About 4-(2-methyltetrazol-5-yl)benzene-1,2-diol

4-(2-methyltetrazol-5-yl)benzene-1,2-diol (PubChem CID 135648958) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-(2-methyltetrazol-5-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2-methyltetrazol-5-yl)benzene-1,2-diol
PubChem CID135648958
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name4-(2-methyltetrazol-5-yl)benzene-1,2-diol
SMILESCn1nnc(-c2ccc(O)c(O)c2)n1
InChIInChI=1S/C8H8N4O2/c1-12-10-8(9-11-12)5-2-3-6(13)7(14)4-5/h2-4,13-14H,1H3
InChIKeyKWOMBEZUYJKPHE-UHFFFAOYSA-N
XLogP0.29
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyltetrazol-5-yl)benzene-1,2-diol?
The IUPAC name of 4-(2-methyltetrazol-5-yl)benzene-1,2-diol (CID 135648958) is 4-(2-methyltetrazol-5-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(2-methyltetrazol-5-yl)benzene-1,2-diol?
The canonical SMILES for 4-(2-methyltetrazol-5-yl)benzene-1,2-diol is Cn1nnc(-c2ccc(O)c(O)c2)n1.
What is the InChIKey of 4-(2-methyltetrazol-5-yl)benzene-1,2-diol?
The InChIKey is KWOMBEZUYJKPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-12-10-8(9-11-12)5-2-3-6(13)7(14)4-5/h2-4,13-14H,1H3.
What are the key properties of 4-(2-methyltetrazol-5-yl)benzene-1,2-diol?
4-(2-methyltetrazol-5-yl)benzene-1,2-diol has a molecular weight of 192.18 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyltetrazol-5-yl)benzene-1,2-diol is sourced from PubChem (CID 135648958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).