4-[(4-amino-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)amino]benzonitrile

C20H14N6O — CID 24887424

IUPAC4-[(4-amino-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2nc(N)nc(Oc3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C20H14N6O/c21-12-13-5-8-16(9-6-13)23-19-24-18(22)25-20(26-19)27-17-10-7-14-3-1-2-4-15(14)11-17/h1-11H,(H3,22,23,24,25,26)
InChIKeyKAHMERDCNLOGPU-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.01
Rot. Bonds4

About 4-[(4-amino-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)amino]benzonitrile

4-[(4-amino-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)amino]benzonitrile (PubChem CID 24887424) has the molecular formula C20H14N6O and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-[(4-amino-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(4-amino-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)amino]benzonitrile
PubChem CID24887424
Molecular FormulaC20H14N6O
Molecular Weight354.37 g/mol
Exact Mass354.12
IUPAC Name4-[(4-amino-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2nc(N)nc(Oc3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C20H14N6O/c21-12-13-5-8-16(9-6-13)23-19-24-18(22)25-20(26-19)27-17-10-7-14-3-1-2-4-15(14)11-17/h1-11H,(H3,22,23,24,25,26)
InChIKeyKAHMERDCNLOGPU-UHFFFAOYSA-N
XLogP4.01
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)amino]benzonitrile?
The IUPAC name of 4-[(4-amino-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)amino]benzonitrile (CID 24887424) is 4-[(4-amino-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)amino]benzonitrile.
What is the SMILES notation for 4-[(4-amino-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)amino]benzonitrile?
The canonical SMILES for 4-[(4-amino-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)amino]benzonitrile is N#Cc1ccc(Nc2nc(N)nc(Oc3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 4-[(4-amino-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)amino]benzonitrile?
The InChIKey is KAHMERDCNLOGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O/c21-12-13-5-8-16(9-6-13)23-19-24-18(22)25-20(26-19)27-17-10-7-14-3-1-2-4-15(14)11-17/h1-11H,(H3,22,23,24,25,26).
What are the key properties of 4-[(4-amino-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)amino]benzonitrile?
4-[(4-amino-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)amino]benzonitrile has a molecular weight of 354.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)amino]benzonitrile is sourced from PubChem (CID 24887424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).