4-(tetrazol-2-yl)cyclohexa-2,4-dien-1-ol

C7H8N4O — CID 91518189

IUPAC4-(tetrazol-2-yl)cyclohexa-2,4-dien-1-ol
SMILESOC1C=CC(n2ncnn2)=CC1
InChIInChI=1S/C7H8N4O/c12-7-3-1-6(2-4-7)11-9-5-8-10-11/h1-3,5,7,12H,4H2
InChIKeyUEEYIBBKQZOEDI-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.17
Rot. Bonds1

About 4-(tetrazol-2-yl)cyclohexa-2,4-dien-1-ol

4-(tetrazol-2-yl)cyclohexa-2,4-dien-1-ol (PubChem CID 91518189) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 4-(tetrazol-2-yl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-(tetrazol-2-yl)cyclohexa-2,4-dien-1-ol
PubChem CID91518189
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name4-(tetrazol-2-yl)cyclohexa-2,4-dien-1-ol
SMILESOC1C=CC(n2ncnn2)=CC1
InChIInChI=1S/C7H8N4O/c12-7-3-1-6(2-4-7)11-9-5-8-10-11/h1-3,5,7,12H,4H2
InChIKeyUEEYIBBKQZOEDI-UHFFFAOYSA-N
XLogP-0.17
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-2-yl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-(tetrazol-2-yl)cyclohexa-2,4-dien-1-ol (CID 91518189) is 4-(tetrazol-2-yl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-(tetrazol-2-yl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-(tetrazol-2-yl)cyclohexa-2,4-dien-1-ol is OC1C=CC(n2ncnn2)=CC1.
What is the InChIKey of 4-(tetrazol-2-yl)cyclohexa-2,4-dien-1-ol?
The InChIKey is UEEYIBBKQZOEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c12-7-3-1-6(2-4-7)11-9-5-8-10-11/h1-3,5,7,12H,4H2.
What are the key properties of 4-(tetrazol-2-yl)cyclohexa-2,4-dien-1-ol?
4-(tetrazol-2-yl)cyclohexa-2,4-dien-1-ol has a molecular weight of 164.17 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-2-yl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 91518189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).