4-amino-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile

C16H12N6 — CID 712283

IUPAC4-amino-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C16H12N6/c17-11-14-19-15(18)21-16(20-14)22(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,(H2,18,19,20,21)
InChIKeyKTIBTQAECPZEKI-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.80
Rot. Bonds3

About 4-amino-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile

4-amino-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile (PubChem CID 712283) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-amino-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile
PubChem CID712283
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Name4-amino-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C16H12N6/c17-11-14-19-15(18)21-16(20-14)22(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,(H2,18,19,20,21)
InChIKeyKTIBTQAECPZEKI-UHFFFAOYSA-N
XLogP2.80
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-amino-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile (CID 712283) is 4-amino-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-amino-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-amino-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile is N#Cc1nc(N)nc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4-amino-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile?
The InChIKey is KTIBTQAECPZEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c17-11-14-19-15(18)21-16(20-14)22(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,(H2,18,19,20,21).
What are the key properties of 4-amino-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile?
4-amino-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile has a molecular weight of 288.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 712283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).