N',2,2-trimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]propanehydrazide

C16H18F3N5O — CID 6413324

IUPACN',2,2-trimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]propanehydrazide
SMILESCN(NC(=O)C(C)(C)C)c1nc(-c2ccccc2)nnc1C(F)(F)F
InChIInChI=1S/C16H18F3N5O/c1-15(2,3)14(25)23-24(4)13-11(16(17,18)19)21-22-12(20-13)10-8-6-5-7-9-10/h5-9H,1-4H3,(H,23,25)
InChIKeyLKWLMPBMQMPAFM-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.07
Rot. Bonds3

About N',2,2-trimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]propanehydrazide

N',2,2-trimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]propanehydrazide (PubChem CID 6413324) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]propanehydrazide.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]propanehydrazide
PubChem CID6413324
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC NameN',2,2-trimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]propanehydrazide
SMILESCN(NC(=O)C(C)(C)C)c1nc(-c2ccccc2)nnc1C(F)(F)F
InChIInChI=1S/C16H18F3N5O/c1-15(2,3)14(25)23-24(4)13-11(16(17,18)19)21-22-12(20-13)10-8-6-5-7-9-10/h5-9H,1-4H3,(H,23,25)
InChIKeyLKWLMPBMQMPAFM-UHFFFAOYSA-N
XLogP3.07
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]propanehydrazide?
The IUPAC name of N',2,2-trimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]propanehydrazide (CID 6413324) is N',2,2-trimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]propanehydrazide.
What is the SMILES notation for N',2,2-trimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]propanehydrazide?
The canonical SMILES for N',2,2-trimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]propanehydrazide is CN(NC(=O)C(C)(C)C)c1nc(-c2ccccc2)nnc1C(F)(F)F.
What is the InChIKey of N',2,2-trimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]propanehydrazide?
The InChIKey is LKWLMPBMQMPAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-15(2,3)14(25)23-24(4)13-11(16(17,18)19)21-22-12(20-13)10-8-6-5-7-9-10/h5-9H,1-4H3,(H,23,25).
What are the key properties of N',2,2-trimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]propanehydrazide?
N',2,2-trimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]propanehydrazide has a molecular weight of 353.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]propanehydrazide is sourced from PubChem (CID 6413324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).