2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile

C16H14N6 — CID 43823269

IUPAC2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile
SMILESCC(Nc1ccccc1C#N)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H14N6/c1-12(19-16-8-3-2-5-14(16)10-17)13-6-4-7-15(9-13)22-11-18-20-21-22/h2-9,11-12,19H,1H3
InChIKeyDAMAAZRJWWGZQM-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.71
Rot. Bonds4

About 2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile

2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile (PubChem CID 43823269) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile.

Molecular Properties

Compound Name2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile
PubChem CID43823269
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile
SMILESCC(Nc1ccccc1C#N)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H14N6/c1-12(19-16-8-3-2-5-14(16)10-17)13-6-4-7-15(9-13)22-11-18-20-21-22/h2-9,11-12,19H,1H3
InChIKeyDAMAAZRJWWGZQM-UHFFFAOYSA-N
XLogP2.71
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile?
The IUPAC name of 2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile (CID 43823269) is 2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile.
What is the SMILES notation for 2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile?
The canonical SMILES for 2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile is CC(Nc1ccccc1C#N)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile?
The InChIKey is DAMAAZRJWWGZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c1-12(19-16-8-3-2-5-14(16)10-17)13-6-4-7-15(9-13)22-11-18-20-21-22/h2-9,11-12,19H,1H3.
What are the key properties of 2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile?
2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile has a molecular weight of 290.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile is sourced from PubChem (CID 43823269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).