5-(1-chloroethyl)-1-(3-ethylpentan-3-yl)tetrazole

C10H19ClN4 — CID 103084565

IUPAC5-(1-chloroethyl)-1-(3-ethylpentan-3-yl)tetrazole
SMILESCCC(CC)(CC)n1nnnc1C(C)Cl
InChIInChI=1S/C10H19ClN4/c1-5-10(6-2,7-3)15-9(8(4)11)12-13-14-15/h8H,5-7H2,1-4H3
InChIKeyMCJLIPMNMRRSKU-UHFFFAOYSA-N
MW230.74 g/mol
LogP2.90
Rot. Bonds5

About 5-(1-chloroethyl)-1-(3-ethylpentan-3-yl)tetrazole

5-(1-chloroethyl)-1-(3-ethylpentan-3-yl)tetrazole (PubChem CID 103084565) has the molecular formula C10H19ClN4 and a molecular weight of 230.74 g/mol. Its IUPAC name is 5-(1-chloroethyl)-1-(3-ethylpentan-3-yl)tetrazole.

Molecular Properties

Compound Name5-(1-chloroethyl)-1-(3-ethylpentan-3-yl)tetrazole
PubChem CID103084565
Molecular FormulaC10H19ClN4
Molecular Weight230.74 g/mol
Exact Mass230.13
IUPAC Name5-(1-chloroethyl)-1-(3-ethylpentan-3-yl)tetrazole
SMILESCCC(CC)(CC)n1nnnc1C(C)Cl
InChIInChI=1S/C10H19ClN4/c1-5-10(6-2,7-3)15-9(8(4)11)12-13-14-15/h8H,5-7H2,1-4H3
InChIKeyMCJLIPMNMRRSKU-UHFFFAOYSA-N
XLogP2.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 52.90
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-(3-ethylpentan-3-yl)tetrazole?
The IUPAC name of 5-(1-chloroethyl)-1-(3-ethylpentan-3-yl)tetrazole (CID 103084565) is 5-(1-chloroethyl)-1-(3-ethylpentan-3-yl)tetrazole.
What is the SMILES notation for 5-(1-chloroethyl)-1-(3-ethylpentan-3-yl)tetrazole?
The canonical SMILES for 5-(1-chloroethyl)-1-(3-ethylpentan-3-yl)tetrazole is CCC(CC)(CC)n1nnnc1C(C)Cl.
What is the InChIKey of 5-(1-chloroethyl)-1-(3-ethylpentan-3-yl)tetrazole?
The InChIKey is MCJLIPMNMRRSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN4/c1-5-10(6-2,7-3)15-9(8(4)11)12-13-14-15/h8H,5-7H2,1-4H3.
What are the key properties of 5-(1-chloroethyl)-1-(3-ethylpentan-3-yl)tetrazole?
5-(1-chloroethyl)-1-(3-ethylpentan-3-yl)tetrazole has a molecular weight of 230.74 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-1-(3-ethylpentan-3-yl)tetrazole is sourced from PubChem (CID 103084565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).