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

C16H18F3N5O — CID 6413198

IUPACN',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]butanehydrazide
SMILESCC(C)CC(=O)NN(C)c1nc(-c2ccccc2)nnc1C(F)(F)F
InChIInChI=1S/C16H18F3N5O/c1-10(2)9-12(25)23-24(3)15-13(16(17,18)19)21-22-14(20-15)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,23,25)
InChIKeyQBTQFOSGMKWHLL-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.07
Rot. Bonds5

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

N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]butanehydrazide (PubChem CID 6413198) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]butanehydrazide.

Molecular Properties

Compound NameN',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]butanehydrazide
PubChem CID6413198
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC NameN',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]butanehydrazide
SMILESCC(C)CC(=O)NN(C)c1nc(-c2ccccc2)nnc1C(F)(F)F
InChIInChI=1S/C16H18F3N5O/c1-10(2)9-12(25)23-24(3)15-13(16(17,18)19)21-22-14(20-15)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,23,25)
InChIKeyQBTQFOSGMKWHLL-UHFFFAOYSA-N
XLogP3.07
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]butanehydrazide?
The IUPAC name of N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]butanehydrazide (CID 6413198) is N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]butanehydrazide.
What is the SMILES notation for N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]butanehydrazide?
The canonical SMILES for N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]butanehydrazide is CC(C)CC(=O)NN(C)c1nc(-c2ccccc2)nnc1C(F)(F)F.
What is the InChIKey of N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]butanehydrazide?
The InChIKey is QBTQFOSGMKWHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-10(2)9-12(25)23-24(3)15-13(16(17,18)19)21-22-14(20-15)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,23,25).
What are the key properties of N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]butanehydrazide?
N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]butanehydrazide has a molecular weight of 353.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]butanehydrazide is sourced from PubChem (CID 6413198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).