1-cyclohexyl-2,5-dihydrotetrazole

C7H14N4 — CID 12048181

IUPAC1-cyclohexyl-2,5-dihydrotetrazole
SMILESC1CCC(N2CN=NN2)CC1
InChIInChI=1S/C7H14N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h7H,1-6H2,(H,8,10)
InChIKeyVJKRIKAYNXLAIU-UHFFFAOYSA-N
MW154.22 g/mol
LogP1.46
Rot. Bonds1

About 1-cyclohexyl-2,5-dihydrotetrazole

1-cyclohexyl-2,5-dihydrotetrazole (PubChem CID 12048181) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-cyclohexyl-2,5-dihydrotetrazole.

Molecular Properties

Compound Name1-cyclohexyl-2,5-dihydrotetrazole
PubChem CID12048181
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-cyclohexyl-2,5-dihydrotetrazole
SMILESC1CCC(N2CN=NN2)CC1
InChIInChI=1S/C7H14N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h7H,1-6H2,(H,8,10)
InChIKeyVJKRIKAYNXLAIU-UHFFFAOYSA-N
XLogP1.46
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,5-dihydrotetrazole?
The IUPAC name of 1-cyclohexyl-2,5-dihydrotetrazole (CID 12048181) is 1-cyclohexyl-2,5-dihydrotetrazole.
What is the SMILES notation for 1-cyclohexyl-2,5-dihydrotetrazole?
The canonical SMILES for 1-cyclohexyl-2,5-dihydrotetrazole is C1CCC(N2CN=NN2)CC1.
What is the InChIKey of 1-cyclohexyl-2,5-dihydrotetrazole?
The InChIKey is VJKRIKAYNXLAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h7H,1-6H2,(H,8,10).
What are the key properties of 1-cyclohexyl-2,5-dihydrotetrazole?
1-cyclohexyl-2,5-dihydrotetrazole has a molecular weight of 154.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,5-dihydrotetrazole is sourced from PubChem (CID 12048181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).