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

C12H13N7O — CID 80918439

IUPAC2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]benzonitrile
SMILESCN(C)c1nc(NN)nc(Oc2ccccc2C#N)n1
InChIInChI=1S/C12H13N7O/c1-19(2)11-15-10(18-14)16-12(17-11)20-9-6-4-3-5-8(9)7-13/h3-6H,14H2,1-2H3,(H,15,16,17,18)
InChIKeyBJRNOYGKYQBINN-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.89
Rot. Bonds4

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

2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]benzonitrile (PubChem CID 80918439) has the molecular formula C12H13N7O and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]benzonitrile.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]benzonitrile
PubChem CID80918439
Molecular FormulaC12H13N7O
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]benzonitrile
SMILESCN(C)c1nc(NN)nc(Oc2ccccc2C#N)n1
InChIInChI=1S/C12H13N7O/c1-19(2)11-15-10(18-14)16-12(17-11)20-9-6-4-3-5-8(9)7-13/h3-6H,14H2,1-2H3,(H,15,16,17,18)
InChIKeyBJRNOYGKYQBINN-UHFFFAOYSA-N
XLogP0.89
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
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

4-(2-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80915893
4-(2,3-dichlorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80916635
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-methylamino]benzonitrile
CID 80930123
4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80916652
6-hydrazinyl-2-N-(2-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80900883
4-(4-ethylphenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80915253
6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80927617
2-(2-cyanophenoxy)benzonitrile
CID 13435570
2-[(6-hydrazinyl-2-pyridinyl)oxy]benzonitrile
CID 80918520
2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol
CID 107710379
4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]benzonitrile
CID 80919030
4-hydrazinyl-6-methoxy-N-methyl-N-phenyl-1,3,5-triazin-2-amine
CID 80927383

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]benzonitrile?
The IUPAC name of 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]benzonitrile (CID 80918439) is 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]benzonitrile.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]benzonitrile?
The canonical SMILES for 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]benzonitrile is CN(C)c1nc(NN)nc(Oc2ccccc2C#N)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]benzonitrile?
The InChIKey is BJRNOYGKYQBINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O/c1-19(2)11-15-10(18-14)16-12(17-11)20-9-6-4-3-5-8(9)7-13/h3-6H,14H2,1-2H3,(H,15,16,17,18).
What are the key properties of 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]benzonitrile?
2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]benzonitrile has a molecular weight of 271.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]benzonitrile is sourced from PubChem (CID 80918439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).