4-(2H-tetrazol-5-yl)benzene-1,3-diol

C7H6N4O2 — CID 136694597

IUPAC4-(2H-tetrazol-5-yl)benzene-1,3-diol
SMILESOc1ccc(-c2nn[nH]n2)c(O)c1
InChIInChI=1S/C7H6N4O2/c12-4-1-2-5(6(13)3-4)7-8-10-11-9-7/h1-3,12-13H,(H,8,9,10,11)
InChIKeyZACKVRPHUAKHDY-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.28
Rot. Bonds1

About 4-(2H-tetrazol-5-yl)benzene-1,3-diol

4-(2H-tetrazol-5-yl)benzene-1,3-diol (PubChem CID 136694597) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 4-(2H-tetrazol-5-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(2H-tetrazol-5-yl)benzene-1,3-diol
PubChem CID136694597
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name4-(2H-tetrazol-5-yl)benzene-1,3-diol
SMILESOc1ccc(-c2nn[nH]n2)c(O)c1
InChIInChI=1S/C7H6N4O2/c12-4-1-2-5(6(13)3-4)7-8-10-11-9-7/h1-3,12-13H,(H,8,9,10,11)
InChIKeyZACKVRPHUAKHDY-UHFFFAOYSA-N
XLogP0.28
TPSA94.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-tetrazol-5-yl)benzene-1,3-diol?
The IUPAC name of 4-(2H-tetrazol-5-yl)benzene-1,3-diol (CID 136694597) is 4-(2H-tetrazol-5-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(2H-tetrazol-5-yl)benzene-1,3-diol?
The canonical SMILES for 4-(2H-tetrazol-5-yl)benzene-1,3-diol is Oc1ccc(-c2nn[nH]n2)c(O)c1.
What is the InChIKey of 4-(2H-tetrazol-5-yl)benzene-1,3-diol?
The InChIKey is ZACKVRPHUAKHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c12-4-1-2-5(6(13)3-4)7-8-10-11-9-7/h1-3,12-13H,(H,8,9,10,11).
What are the key properties of 4-(2H-tetrazol-5-yl)benzene-1,3-diol?
4-(2H-tetrazol-5-yl)benzene-1,3-diol has a molecular weight of 178.15 g/mol, XLogP of 0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-tetrazol-5-yl)benzene-1,3-diol is sourced from PubChem (CID 136694597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).