5-(2-phenylpropyl)-2H-tetrazole

C10H12N4 — CID 130947547

IUPAC5-(2-phenylpropyl)-2H-tetrazole
SMILESCC(Cc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C10H12N4/c1-8(7-10-11-13-14-12-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12,13,14)
InChIKeyVVCAFMMTOVHSIU-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.55
Rot. Bonds3

About 5-(2-phenylpropyl)-2H-tetrazole

5-(2-phenylpropyl)-2H-tetrazole (PubChem CID 130947547) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-(2-phenylpropyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2-phenylpropyl)-2H-tetrazole
PubChem CID130947547
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name5-(2-phenylpropyl)-2H-tetrazole
SMILESCC(Cc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C10H12N4/c1-8(7-10-11-13-14-12-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12,13,14)
InChIKeyVVCAFMMTOVHSIU-UHFFFAOYSA-N
XLogP1.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylpropyl)-2H-tetrazole?
The IUPAC name of 5-(2-phenylpropyl)-2H-tetrazole (CID 130947547) is 5-(2-phenylpropyl)-2H-tetrazole.
What is the SMILES notation for 5-(2-phenylpropyl)-2H-tetrazole?
The canonical SMILES for 5-(2-phenylpropyl)-2H-tetrazole is CC(Cc1nn[nH]n1)c1ccccc1.
What is the InChIKey of 5-(2-phenylpropyl)-2H-tetrazole?
The InChIKey is VVCAFMMTOVHSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-8(7-10-11-13-14-12-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12,13,14).
What are the key properties of 5-(2-phenylpropyl)-2H-tetrazole?
5-(2-phenylpropyl)-2H-tetrazole has a molecular weight of 188.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylpropyl)-2H-tetrazole is sourced from PubChem (CID 130947547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).