3-[5-(4-phenylphenyl)tetrazol-2-yl]propanenitrile

C16H13N5 — CID 10802348

IUPAC3-[5-(4-phenylphenyl)tetrazol-2-yl]propanenitrile
SMILESN#CCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C16H13N5/c17-11-4-12-21-19-16(18-20-21)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10H,4,12H2
InChIKeyUTDIGEWPBBDFMG-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.92
Rot. Bonds4

About 3-[5-(4-phenylphenyl)tetrazol-2-yl]propanenitrile

3-[5-(4-phenylphenyl)tetrazol-2-yl]propanenitrile (PubChem CID 10802348) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[5-(4-phenylphenyl)tetrazol-2-yl]propanenitrile.

Molecular Properties

Compound Name3-[5-(4-phenylphenyl)tetrazol-2-yl]propanenitrile
PubChem CID10802348
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name3-[5-(4-phenylphenyl)tetrazol-2-yl]propanenitrile
SMILESN#CCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C16H13N5/c17-11-4-12-21-19-16(18-20-21)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10H,4,12H2
InChIKeyUTDIGEWPBBDFMG-UHFFFAOYSA-N
XLogP2.92
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-phenylphenyl)tetrazol-2-yl]propanenitrile?
The IUPAC name of 3-[5-(4-phenylphenyl)tetrazol-2-yl]propanenitrile (CID 10802348) is 3-[5-(4-phenylphenyl)tetrazol-2-yl]propanenitrile.
What is the SMILES notation for 3-[5-(4-phenylphenyl)tetrazol-2-yl]propanenitrile?
The canonical SMILES for 3-[5-(4-phenylphenyl)tetrazol-2-yl]propanenitrile is N#CCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 3-[5-(4-phenylphenyl)tetrazol-2-yl]propanenitrile?
The InChIKey is UTDIGEWPBBDFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c17-11-4-12-21-19-16(18-20-21)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10H,4,12H2.
What are the key properties of 3-[5-(4-phenylphenyl)tetrazol-2-yl]propanenitrile?
3-[5-(4-phenylphenyl)tetrazol-2-yl]propanenitrile has a molecular weight of 275.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-phenylphenyl)tetrazol-2-yl]propanenitrile is sourced from PubChem (CID 10802348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).