5-(2,2-dimethylpropyl)-2-phenyltetrazole

C12H16N4 — CID 69033317

IUPAC5-(2,2-dimethylpropyl)-2-phenyltetrazole
SMILESCC(C)(C)Cc1nnn(-c2ccccc2)n1
InChIInChI=1S/C12H16N4/c1-12(2,3)9-11-13-15-16(14-11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyFLKMGCVQHGAYDR-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.25
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-2-phenyltetrazole

5-(2,2-dimethylpropyl)-2-phenyltetrazole (PubChem CID 69033317) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-phenyltetrazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-phenyltetrazole
PubChem CID69033317
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-(2,2-dimethylpropyl)-2-phenyltetrazole
SMILESCC(C)(C)Cc1nnn(-c2ccccc2)n1
InChIInChI=1S/C12H16N4/c1-12(2,3)9-11-13-15-16(14-11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyFLKMGCVQHGAYDR-UHFFFAOYSA-N
XLogP2.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2-phenyltetrazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-phenyltetrazole (CID 69033317) is 5-(2,2-dimethylpropyl)-2-phenyltetrazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-phenyltetrazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-phenyltetrazole is CC(C)(C)Cc1nnn(-c2ccccc2)n1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-phenyltetrazole?
The InChIKey is FLKMGCVQHGAYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-12(2,3)9-11-13-15-16(14-11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2-phenyltetrazole?
5-(2,2-dimethylpropyl)-2-phenyltetrazole has a molecular weight of 216.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2-phenyltetrazole is sourced from PubChem (CID 69033317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).