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

C13H15N7O — CID 80911513

IUPAC3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]benzonitrile
SMILESCCCOc1nc(NN)nc(Nc2cccc(C#N)c2)n1
InChIInChI=1S/C13H15N7O/c1-2-6-21-13-18-11(17-12(19-13)20-15)16-10-5-3-4-9(7-10)8-14/h3-5,7H,2,6,15H2,1H3,(H2,16,17,18,19,20)
InChIKeyAMNALEQCJPYQLA-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.56
Rot. Bonds6

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

3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]benzonitrile (PubChem CID 80911513) has the molecular formula C13H15N7O and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]benzonitrile
PubChem CID80911513
Molecular FormulaC13H15N7O
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]benzonitrile
SMILESCCCOc1nc(NN)nc(Nc2cccc(C#N)c2)n1
InChIInChI=1S/C13H15N7O/c1-2-6-21-13-18-11(17-12(19-13)20-15)16-10-5-3-4-9(7-10)8-14/h3-5,7H,2,6,15H2,1H3,(H2,16,17,18,19,20)
InChIKeyAMNALEQCJPYQLA-UHFFFAOYSA-N
XLogP1.56
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80927875
4-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80928587
N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 107617973
4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine
CID 80911422
2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80736601
N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905492
N-(3-ethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80927507
N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911666
N-(2-bromo-4-fluorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80912510
N-(4-bromo-2-fluorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80913147
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]benzonitrile
CID 80927950
[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80910606

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]benzonitrile?
The IUPAC name of 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]benzonitrile (CID 80911513) is 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]benzonitrile.
What is the SMILES notation for 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]benzonitrile?
The canonical SMILES for 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]benzonitrile is CCCOc1nc(NN)nc(Nc2cccc(C#N)c2)n1.
What is the InChIKey of 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]benzonitrile?
The InChIKey is AMNALEQCJPYQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O/c1-2-6-21-13-18-11(17-12(19-13)20-15)16-10-5-3-4-9(7-10)8-14/h3-5,7H,2,6,15H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]benzonitrile?
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]benzonitrile has a molecular weight of 285.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]benzonitrile is sourced from PubChem (CID 80911513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).