5-(3-chloropropyl)-1-(cyclohexylmethyl)tetrazole

C11H19ClN4 — CID 13047517

IUPAC5-(3-chloropropyl)-1-(cyclohexylmethyl)tetrazole
SMILESClCCCc1nnnn1CC1CCCCC1
InChIInChI=1S/C11H19ClN4/c12-8-4-7-11-13-14-15-16(11)9-10-5-2-1-3-6-10/h10H,1-9H2
InChIKeyKSMCYIOAOIASQL-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.42
Rot. Bonds5

About 5-(3-chloropropyl)-1-(cyclohexylmethyl)tetrazole

5-(3-chloropropyl)-1-(cyclohexylmethyl)tetrazole (PubChem CID 13047517) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is 5-(3-chloropropyl)-1-(cyclohexylmethyl)tetrazole.

Molecular Properties

Compound Name5-(3-chloropropyl)-1-(cyclohexylmethyl)tetrazole
PubChem CID13047517
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC Name5-(3-chloropropyl)-1-(cyclohexylmethyl)tetrazole
SMILESClCCCc1nnnn1CC1CCCCC1
InChIInChI=1S/C11H19ClN4/c12-8-4-7-11-13-14-15-16(11)9-10-5-2-1-3-6-10/h10H,1-9H2
InChIKeyKSMCYIOAOIASQL-UHFFFAOYSA-N
XLogP2.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.42
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-(3-chloropropyl)-1-(cyclohexylmethyl)tetrazole?
The IUPAC name of 5-(3-chloropropyl)-1-(cyclohexylmethyl)tetrazole (CID 13047517) is 5-(3-chloropropyl)-1-(cyclohexylmethyl)tetrazole.
What is the SMILES notation for 5-(3-chloropropyl)-1-(cyclohexylmethyl)tetrazole?
The canonical SMILES for 5-(3-chloropropyl)-1-(cyclohexylmethyl)tetrazole is ClCCCc1nnnn1CC1CCCCC1.
What is the InChIKey of 5-(3-chloropropyl)-1-(cyclohexylmethyl)tetrazole?
The InChIKey is KSMCYIOAOIASQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c12-8-4-7-11-13-14-15-16(11)9-10-5-2-1-3-6-10/h10H,1-9H2.
What are the key properties of 5-(3-chloropropyl)-1-(cyclohexylmethyl)tetrazole?
5-(3-chloropropyl)-1-(cyclohexylmethyl)tetrazole has a molecular weight of 242.75 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropyl)-1-(cyclohexylmethyl)tetrazole is sourced from PubChem (CID 13047517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).