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

C14H19N7O2 — CID 23820823

IUPAC4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzohydrazide
SMILESCN(C)c1nc(Oc2ccc(C(=O)NN)cc2)nc(N(C)C)n1
InChIInChI=1S/C14H19N7O2/c1-20(2)12-16-13(21(3)4)18-14(17-12)23-10-7-5-9(6-8-10)11(22)19-15/h5-8H,15H2,1-4H3,(H,19,22)
InChIKeyWERGFJQMIULTTE-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.40
Rot. Bonds5

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

4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzohydrazide (PubChem CID 23820823) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzohydrazide.

Molecular Properties

Compound Name4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzohydrazide
PubChem CID23820823
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzohydrazide
SMILESCN(C)c1nc(Oc2ccc(C(=O)NN)cc2)nc(N(C)C)n1
InChIInChI=1S/C14H19N7O2/c1-20(2)12-16-13(21(3)4)18-14(17-12)23-10-7-5-9(6-8-10)11(22)19-15/h5-8H,15H2,1-4H3,(H,19,22)
InChIKeyWERGFJQMIULTTE-UHFFFAOYSA-N
XLogP0.40
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 742835
(2-methoxy-2-oxoethyl) 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 1001944
methyl 4-[[4-(dimethylamino)-6-(methoxymethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 29128239
ethyl 4-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3236720
methyl 4-[[4-(butan-2-ylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 4256590
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol
CID 107710379
4-(4-ethylphenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80915253
ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 23265613
[4-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]phenyl] carbamate
CID 57173096
4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide
CID 162501088

Frequently Asked Questions

What is the IUPAC name of 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzohydrazide?
The IUPAC name of 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzohydrazide (CID 23820823) is 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzohydrazide.
What is the SMILES notation for 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzohydrazide?
The canonical SMILES for 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzohydrazide is CN(C)c1nc(Oc2ccc(C(=O)NN)cc2)nc(N(C)C)n1.
What is the InChIKey of 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzohydrazide?
The InChIKey is WERGFJQMIULTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-20(2)12-16-13(21(3)4)18-14(17-12)23-10-7-5-9(6-8-10)11(22)19-15/h5-8H,15H2,1-4H3,(H,19,22).
What are the key properties of 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzohydrazide?
4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzohydrazide has a molecular weight of 317.35 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzohydrazide is sourced from PubChem (CID 23820823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).