2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile

C16H11N5 — CID 118979887

IUPAC2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile
SMILESN#Cc1ccccc1-c1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C16H11N5/c17-10-12-8-4-5-9-13(12)15-19-14(20-16(18)21-15)11-6-2-1-3-7-11/h1-9H,(H2,18,19,20,21)
InChIKeyPLJPEOJJCHJLGF-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.66
Rot. Bonds2

About 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile

2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 118979887) has the molecular formula C16H11N5 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile.

Molecular Properties

Compound Name2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile
PubChem CID118979887
Molecular FormulaC16H11N5
Molecular Weight273.30 g/mol
Exact Mass273.10
IUPAC Name2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile
SMILESN#Cc1ccccc1-c1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C16H11N5/c17-10-12-8-4-5-9-13(12)15-19-14(20-16(18)21-15)11-6-2-1-3-7-11/h1-9H,(H2,18,19,20,21)
InChIKeyPLJPEOJJCHJLGF-UHFFFAOYSA-N
XLogP2.66
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 168837004
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 176646140
4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine
CID 165048378
4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 22352251
2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134320671
4-[2-[4-cyano-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 170299696
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]benzonitrile
CID 170215378
6-phenyl-1,3,5-triazine-2,4-diamine;1,3,5-triazinane-2,4,6-trione
CID 23514227
2-(2,6-diamino-4-pyridinyl)benzonitrile
CID 22629705
2-(2-phenylpyrimidin-4-yl)benzonitrile
CID 21476415
4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 169297037
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]benzonitrile
CID 170299760

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile?
The IUPAC name of 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile (CID 118979887) is 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile.
What is the SMILES notation for 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile?
The canonical SMILES for 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile is N#Cc1ccccc1-c1nc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile?
The InChIKey is PLJPEOJJCHJLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5/c17-10-12-8-4-5-9-13(12)15-19-14(20-16(18)21-15)11-6-2-1-3-7-11/h1-9H,(H2,18,19,20,21).
What are the key properties of 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile?
2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile has a molecular weight of 273.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 118979887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).