3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile

C14H16N6O — CID 80797396

IUPAC3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile
SMILESCCNc1nc(NCc2cccc(C#N)c2)nc(OC)n1
InChIInChI=1S/C14H16N6O/c1-3-16-12-18-13(20-14(19-12)21-2)17-9-11-6-4-5-10(7-11)8-15/h4-7H,3,9H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyZAGQBQVNGFXYRI-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.80
Rot. Bonds6

About 3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile

3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile (PubChem CID 80797396) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile
PubChem CID80797396
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile
SMILESCCNc1nc(NCc2cccc(C#N)c2)nc(OC)n1
InChIInChI=1S/C14H16N6O/c1-3-16-12-18-13(20-14(19-12)21-2)17-9-11-6-4-5-10(7-11)8-15/h4-7H,3,9H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyZAGQBQVNGFXYRI-UHFFFAOYSA-N
XLogP1.80
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile
CID 80797510
3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]benzonitrile
CID 80826065
N-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 65028280
4-[(3-cyanophenyl)methylamino]-3-methoxybenzonitrile
CID 104843630
2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80772014
2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80777916
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
3-[(4-bromo-3-methoxyanilino)methyl]benzonitrile
CID 79478848
3-[(3-fluoro-4-methoxyanilino)methyl]benzonitrile
CID 43380602
3-[(3-bromo-4-methoxyanilino)methyl]benzonitrile
CID 63999071
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
3-[[(6-amino-2-pyridinyl)amino]methyl]benzonitrile
CID 80647387

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile?
The IUPAC name of 3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile (CID 80797396) is 3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile?
The canonical SMILES for 3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile is CCNc1nc(NCc2cccc(C#N)c2)nc(OC)n1.
What is the InChIKey of 3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile?
The InChIKey is ZAGQBQVNGFXYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-3-16-12-18-13(20-14(19-12)21-2)17-9-11-6-4-5-10(7-11)8-15/h4-7H,3,9H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile?
3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile has a molecular weight of 284.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile is sourced from PubChem (CID 80797396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).