2-benzyl-5-(2,2-dimethylpropyl)tetrazole

C13H18N4 — CID 69033394

IUPAC2-benzyl-5-(2,2-dimethylpropyl)tetrazole
SMILESCC(C)(C)Cc1nnn(Cc2ccccc2)n1
InChIInChI=1S/C13H18N4/c1-13(2,3)9-12-14-16-17(15-12)10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyMEDQWGVWQMNNLV-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.31
Rot. Bonds3

About 2-benzyl-5-(2,2-dimethylpropyl)tetrazole

2-benzyl-5-(2,2-dimethylpropyl)tetrazole (PubChem CID 69033394) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-benzyl-5-(2,2-dimethylpropyl)tetrazole.

Molecular Properties

Compound Name2-benzyl-5-(2,2-dimethylpropyl)tetrazole
PubChem CID69033394
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-benzyl-5-(2,2-dimethylpropyl)tetrazole
SMILESCC(C)(C)Cc1nnn(Cc2ccccc2)n1
InChIInChI=1S/C13H18N4/c1-13(2,3)9-12-14-16-17(15-12)10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyMEDQWGVWQMNNLV-UHFFFAOYSA-N
XLogP2.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(2,2-dimethylpropyl)tetrazole?
The IUPAC name of 2-benzyl-5-(2,2-dimethylpropyl)tetrazole (CID 69033394) is 2-benzyl-5-(2,2-dimethylpropyl)tetrazole.
What is the SMILES notation for 2-benzyl-5-(2,2-dimethylpropyl)tetrazole?
The canonical SMILES for 2-benzyl-5-(2,2-dimethylpropyl)tetrazole is CC(C)(C)Cc1nnn(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-5-(2,2-dimethylpropyl)tetrazole?
The InChIKey is MEDQWGVWQMNNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-13(2,3)9-12-14-16-17(15-12)10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of 2-benzyl-5-(2,2-dimethylpropyl)tetrazole?
2-benzyl-5-(2,2-dimethylpropyl)tetrazole has a molecular weight of 230.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(2,2-dimethylpropyl)tetrazole is sourced from PubChem (CID 69033394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).