3,5-diphenyl-4-propyl-2H-tetrazole

C16H18N4 — CID 70408483

IUPAC3,5-diphenyl-4-propyl-2H-tetrazole
SMILESCCCN1C(c2ccccc2)=NNN1c1ccccc1
InChIInChI=1S/C16H18N4/c1-2-13-19-16(14-9-5-3-6-10-14)17-18-20(19)15-11-7-4-8-12-15/h3-12,18H,2,13H2,1H3
InChIKeyIXZMEARUMNMLED-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.00
Rot. Bonds4

About 3,5-diphenyl-4-propyl-2H-tetrazole

3,5-diphenyl-4-propyl-2H-tetrazole (PubChem CID 70408483) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3,5-diphenyl-4-propyl-2H-tetrazole.

Molecular Properties

Compound Name3,5-diphenyl-4-propyl-2H-tetrazole
PubChem CID70408483
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name3,5-diphenyl-4-propyl-2H-tetrazole
SMILESCCCN1C(c2ccccc2)=NNN1c1ccccc1
InChIInChI=1S/C16H18N4/c1-2-13-19-16(14-9-5-3-6-10-14)17-18-20(19)15-11-7-4-8-12-15/h3-12,18H,2,13H2,1H3
InChIKeyIXZMEARUMNMLED-UHFFFAOYSA-N
XLogP3.00
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-4-propyl-2H-tetrazole?
The IUPAC name of 3,5-diphenyl-4-propyl-2H-tetrazole (CID 70408483) is 3,5-diphenyl-4-propyl-2H-tetrazole.
What is the SMILES notation for 3,5-diphenyl-4-propyl-2H-tetrazole?
The canonical SMILES for 3,5-diphenyl-4-propyl-2H-tetrazole is CCCN1C(c2ccccc2)=NNN1c1ccccc1.
What is the InChIKey of 3,5-diphenyl-4-propyl-2H-tetrazole?
The InChIKey is IXZMEARUMNMLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-13-19-16(14-9-5-3-6-10-14)17-18-20(19)15-11-7-4-8-12-15/h3-12,18H,2,13H2,1H3.
What are the key properties of 3,5-diphenyl-4-propyl-2H-tetrazole?
3,5-diphenyl-4-propyl-2H-tetrazole has a molecular weight of 266.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-4-propyl-2H-tetrazole is sourced from PubChem (CID 70408483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).