1-cyclohexyltetrazole

C7H12N4 — CID 11263601

IUPAC1-cyclohexyltetrazole
SMILESc1nnnn1C1CCCCC1
InChIInChI=1S/C7H12N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h6-7H,1-5H2
InChIKeyVUTGCJAAPNDVLD-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.18
Rot. Bonds1

About 1-cyclohexyltetrazole

1-cyclohexyltetrazole (PubChem CID 11263601) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-cyclohexyltetrazole.

Molecular Properties

Compound Name1-cyclohexyltetrazole
PubChem CID11263601
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name1-cyclohexyltetrazole
SMILESc1nnnn1C1CCCCC1
InChIInChI=1S/C7H12N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h6-7H,1-5H2
InChIKeyVUTGCJAAPNDVLD-UHFFFAOYSA-N
XLogP1.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyltetrazole?
The IUPAC name of 1-cyclohexyltetrazole (CID 11263601) is 1-cyclohexyltetrazole.
What is the SMILES notation for 1-cyclohexyltetrazole?
The canonical SMILES for 1-cyclohexyltetrazole is c1nnnn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyltetrazole?
The InChIKey is VUTGCJAAPNDVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h6-7H,1-5H2.
What are the key properties of 1-cyclohexyltetrazole?
1-cyclohexyltetrazole has a molecular weight of 152.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyltetrazole is sourced from PubChem (CID 11263601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).