5-(1-chloroethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazole

C13H15ClN4 — CID 103084282

IUPAC5-(1-chloroethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazole
SMILESCC(Cl)c1nnnn1-c1cccc2c1CCCC2
InChIInChI=1S/C13H15ClN4/c1-9(14)13-15-16-17-18(13)12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8-9H,2-3,5,7H2,1H3
InChIKeyKNQHYLOLPHBADR-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.84
Rot. Bonds2

About 5-(1-chloroethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazole

5-(1-chloroethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazole (PubChem CID 103084282) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-(1-chloroethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazole.

Molecular Properties

Compound Name5-(1-chloroethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazole
PubChem CID103084282
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name5-(1-chloroethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazole
SMILESCC(Cl)c1nnnn1-c1cccc2c1CCCC2
InChIInChI=1S/C13H15ClN4/c1-9(14)13-15-16-17-18(13)12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8-9H,2-3,5,7H2,1H3
InChIKeyKNQHYLOLPHBADR-UHFFFAOYSA-N
XLogP2.84
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.84
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-(1-chloroethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazole?
The IUPAC name of 5-(1-chloroethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazole (CID 103084282) is 5-(1-chloroethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazole.
What is the SMILES notation for 5-(1-chloroethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazole?
The canonical SMILES for 5-(1-chloroethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazole is CC(Cl)c1nnnn1-c1cccc2c1CCCC2.
What is the InChIKey of 5-(1-chloroethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazole?
The InChIKey is KNQHYLOLPHBADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-9(14)13-15-16-17-18(13)12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8-9H,2-3,5,7H2,1H3.
What are the key properties of 5-(1-chloroethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazole?
5-(1-chloroethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazole has a molecular weight of 262.74 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazole is sourced from PubChem (CID 103084282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).