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

C12H12N6 — CID 5302618

IUPAC4-amino-6-(N-ethylanilino)-1,3,5-triazine-2-carbonitrile
SMILESCCN(c1ccccc1)c1nc(N)nc(C#N)n1
InChIInChI=1S/C12H12N6/c1-2-18(9-6-4-3-5-7-9)12-16-10(8-13)15-11(14)17-12/h3-7H,2H2,1H3,(H2,14,15,16,17)
InChIKeyHTGZOVWXAFIVQQ-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.48
Rot. Bonds3

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

4-amino-6-(N-ethylanilino)-1,3,5-triazine-2-carbonitrile (PubChem CID 5302618) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-amino-6-(N-ethylanilino)-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(N-ethylanilino)-1,3,5-triazine-2-carbonitrile
PubChem CID5302618
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name4-amino-6-(N-ethylanilino)-1,3,5-triazine-2-carbonitrile
SMILESCCN(c1ccccc1)c1nc(N)nc(C#N)n1
InChIInChI=1S/C12H12N6/c1-2-18(9-6-4-3-5-7-9)12-16-10(8-13)15-11(14)17-12/h3-7H,2H2,1H3,(H2,14,15,16,17)
InChIKeyHTGZOVWXAFIVQQ-UHFFFAOYSA-N
XLogP1.48
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.48
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-ethylanilino)-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-amino-6-(N-ethylanilino)-1,3,5-triazine-2-carbonitrile (CID 5302618) is 4-amino-6-(N-ethylanilino)-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-amino-6-(N-ethylanilino)-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-amino-6-(N-ethylanilino)-1,3,5-triazine-2-carbonitrile is CCN(c1ccccc1)c1nc(N)nc(C#N)n1.
What is the InChIKey of 4-amino-6-(N-ethylanilino)-1,3,5-triazine-2-carbonitrile?
The InChIKey is HTGZOVWXAFIVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-2-18(9-6-4-3-5-7-9)12-16-10(8-13)15-11(14)17-12/h3-7H,2H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-amino-6-(N-ethylanilino)-1,3,5-triazine-2-carbonitrile?
4-amino-6-(N-ethylanilino)-1,3,5-triazine-2-carbonitrile has a molecular weight of 240.27 g/mol, XLogP of 1.48, 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-ethylanilino)-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 5302618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).