5-(chloromethyl)-1-cyclohexyltetrazole

C8H13ClN4 — CID 13020224

IUPAC5-(chloromethyl)-1-cyclohexyltetrazole
SMILESClCc1nnnn1C1CCCCC1
InChIInChI=1S/C8H13ClN4/c9-6-8-10-11-12-13(8)7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyNZFAKRBFJHGTDE-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.92
Rot. Bonds2

About 5-(chloromethyl)-1-cyclohexyltetrazole

5-(chloromethyl)-1-cyclohexyltetrazole (PubChem CID 13020224) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 5-(chloromethyl)-1-cyclohexyltetrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-cyclohexyltetrazole
PubChem CID13020224
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name5-(chloromethyl)-1-cyclohexyltetrazole
SMILESClCc1nnnn1C1CCCCC1
InChIInChI=1S/C8H13ClN4/c9-6-8-10-11-12-13(8)7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyNZFAKRBFJHGTDE-UHFFFAOYSA-N
XLogP1.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-cyclohexyltetrazole?
The IUPAC name of 5-(chloromethyl)-1-cyclohexyltetrazole (CID 13020224) is 5-(chloromethyl)-1-cyclohexyltetrazole.
What is the SMILES notation for 5-(chloromethyl)-1-cyclohexyltetrazole?
The canonical SMILES for 5-(chloromethyl)-1-cyclohexyltetrazole is ClCc1nnnn1C1CCCCC1.
What is the InChIKey of 5-(chloromethyl)-1-cyclohexyltetrazole?
The InChIKey is NZFAKRBFJHGTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4/c9-6-8-10-11-12-13(8)7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of 5-(chloromethyl)-1-cyclohexyltetrazole?
5-(chloromethyl)-1-cyclohexyltetrazole has a molecular weight of 200.67 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-cyclohexyltetrazole is sourced from PubChem (CID 13020224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).