1-cyclohexyl-2,5-dihydrotetrazol-5-ol

C7H14N4O — CID 165095138

IUPAC1-cyclohexyl-2,5-dihydrotetrazol-5-ol
SMILESOC1N=NNN1C1CCCCC1
InChIInChI=1S/C7H14N4O/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h6-7,12H,1-5H2,(H,8,10)
InChIKeyXJIMVVUSXVIXSV-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.78
Rot. Bonds1

About 1-cyclohexyl-2,5-dihydrotetrazol-5-ol

1-cyclohexyl-2,5-dihydrotetrazol-5-ol (PubChem CID 165095138) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 1-cyclohexyl-2,5-dihydrotetrazol-5-ol.

Molecular Properties

Compound Name1-cyclohexyl-2,5-dihydrotetrazol-5-ol
PubChem CID165095138
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name1-cyclohexyl-2,5-dihydrotetrazol-5-ol
SMILESOC1N=NNN1C1CCCCC1
InChIInChI=1S/C7H14N4O/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h6-7,12H,1-5H2,(H,8,10)
InChIKeyXJIMVVUSXVIXSV-UHFFFAOYSA-N
XLogP0.78
TPSA60.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,5-dihydrotetrazol-5-ol?
The IUPAC name of 1-cyclohexyl-2,5-dihydrotetrazol-5-ol (CID 165095138) is 1-cyclohexyl-2,5-dihydrotetrazol-5-ol.
What is the SMILES notation for 1-cyclohexyl-2,5-dihydrotetrazol-5-ol?
The canonical SMILES for 1-cyclohexyl-2,5-dihydrotetrazol-5-ol is OC1N=NNN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2,5-dihydrotetrazol-5-ol?
The InChIKey is XJIMVVUSXVIXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h6-7,12H,1-5H2,(H,8,10).
What are the key properties of 1-cyclohexyl-2,5-dihydrotetrazol-5-ol?
1-cyclohexyl-2,5-dihydrotetrazol-5-ol has a molecular weight of 170.22 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,5-dihydrotetrazol-5-ol is sourced from PubChem (CID 165095138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).