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

C21H16N6O — CID 24887423

IUPAC4-[[4-(methylamino)-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]amino]benzonitrile
SMILESCNc1nc(Nc2ccc(C#N)cc2)nc(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C21H16N6O/c1-23-19-25-20(24-17-9-6-14(13-22)7-10-17)27-21(26-19)28-18-11-8-15-4-2-3-5-16(15)12-18/h2-12H,1H3,(H2,23,24,25,26,27)
InChIKeyAHDAQYBLWRRAIA-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.47
Rot. Bonds5

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

4-[[4-(methylamino)-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]amino]benzonitrile (PubChem CID 24887423) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is 4-[[4-(methylamino)-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[4-(methylamino)-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]amino]benzonitrile
PubChem CID24887423
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name4-[[4-(methylamino)-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]amino]benzonitrile
SMILESCNc1nc(Nc2ccc(C#N)cc2)nc(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C21H16N6O/c1-23-19-25-20(24-17-9-6-14(13-22)7-10-17)27-21(26-19)28-18-11-8-15-4-2-3-5-16(15)12-18/h2-12H,1H3,(H2,23,24,25,26,27)
InChIKeyAHDAQYBLWRRAIA-UHFFFAOYSA-N
XLogP4.47
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methylamino)-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]amino]benzonitrile?
The IUPAC name of 4-[[4-(methylamino)-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]amino]benzonitrile (CID 24887423) is 4-[[4-(methylamino)-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[4-(methylamino)-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]amino]benzonitrile?
The canonical SMILES for 4-[[4-(methylamino)-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]amino]benzonitrile is CNc1nc(Nc2ccc(C#N)cc2)nc(Oc2ccc3ccccc3c2)n1.
What is the InChIKey of 4-[[4-(methylamino)-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]amino]benzonitrile?
The InChIKey is AHDAQYBLWRRAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c1-23-19-25-20(24-17-9-6-14(13-22)7-10-17)27-21(26-19)28-18-11-8-15-4-2-3-5-16(15)12-18/h2-12H,1H3,(H2,23,24,25,26,27).
What are the key properties of 4-[[4-(methylamino)-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]amino]benzonitrile?
4-[[4-(methylamino)-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]amino]benzonitrile has a molecular weight of 368.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methylamino)-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]amino]benzonitrile is sourced from PubChem (CID 24887423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).