5-phenyl-2-propan-2-yltetrazole

C10H12N4 — CID 15240699

IUPAC5-phenyl-2-propan-2-yltetrazole
SMILESCC(C)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C10H12N4/c1-8(2)14-12-10(11-13-14)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyQMXKKZSPHLUKBS-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.92
Rot. Bonds2

About 5-phenyl-2-propan-2-yltetrazole

5-phenyl-2-propan-2-yltetrazole (PubChem CID 15240699) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-phenyl-2-propan-2-yltetrazole.

Molecular Properties

Compound Name5-phenyl-2-propan-2-yltetrazole
PubChem CID15240699
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name5-phenyl-2-propan-2-yltetrazole
SMILESCC(C)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C10H12N4/c1-8(2)14-12-10(11-13-14)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyQMXKKZSPHLUKBS-UHFFFAOYSA-N
XLogP1.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-propan-2-yltetrazole?
The IUPAC name of 5-phenyl-2-propan-2-yltetrazole (CID 15240699) is 5-phenyl-2-propan-2-yltetrazole.
What is the SMILES notation for 5-phenyl-2-propan-2-yltetrazole?
The canonical SMILES for 5-phenyl-2-propan-2-yltetrazole is CC(C)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 5-phenyl-2-propan-2-yltetrazole?
The InChIKey is QMXKKZSPHLUKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-8(2)14-12-10(11-13-14)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 5-phenyl-2-propan-2-yltetrazole?
5-phenyl-2-propan-2-yltetrazole has a molecular weight of 188.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-propan-2-yltetrazole is sourced from PubChem (CID 15240699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).