5-butyl-2-(2-methylpropyl)tetrazole

C9H18N4 — CID 69030201

IUPAC5-butyl-2-(2-methylpropyl)tetrazole
SMILESCCCCc1nnn(CC(C)C)n1
InChIInChI=1S/C9H18N4/c1-4-5-6-9-10-12-13(11-9)7-8(2)3/h8H,4-7H2,1-3H3
InChIKeyGINOELVTGXQWTQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.67
Rot. Bonds5

About 5-butyl-2-(2-methylpropyl)tetrazole

5-butyl-2-(2-methylpropyl)tetrazole (PubChem CID 69030201) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-butyl-2-(2-methylpropyl)tetrazole.

Molecular Properties

Compound Name5-butyl-2-(2-methylpropyl)tetrazole
PubChem CID69030201
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name5-butyl-2-(2-methylpropyl)tetrazole
SMILESCCCCc1nnn(CC(C)C)n1
InChIInChI=1S/C9H18N4/c1-4-5-6-9-10-12-13(11-9)7-8(2)3/h8H,4-7H2,1-3H3
InChIKeyGINOELVTGXQWTQ-UHFFFAOYSA-N
XLogP1.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(2-methylpropyl)tetrazole?
The IUPAC name of 5-butyl-2-(2-methylpropyl)tetrazole (CID 69030201) is 5-butyl-2-(2-methylpropyl)tetrazole.
What is the SMILES notation for 5-butyl-2-(2-methylpropyl)tetrazole?
The canonical SMILES for 5-butyl-2-(2-methylpropyl)tetrazole is CCCCc1nnn(CC(C)C)n1.
What is the InChIKey of 5-butyl-2-(2-methylpropyl)tetrazole?
The InChIKey is GINOELVTGXQWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-5-6-9-10-12-13(11-9)7-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 5-butyl-2-(2-methylpropyl)tetrazole?
5-butyl-2-(2-methylpropyl)tetrazole has a molecular weight of 182.27 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(2-methylpropyl)tetrazole is sourced from PubChem (CID 69030201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).