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

C19H16F3N5O — CID 6411702

IUPACN',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]benzohydrazide
SMILESCc1cccc(C(=O)NN(C)c2nc(-c3ccccc3)nnc2C(F)(F)F)c1
InChIInChI=1S/C19H16F3N5O/c1-12-7-6-10-14(11-12)18(28)26-27(2)17-15(19(20,21)22)24-25-16(23-17)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,26,28)
InChIKeyQWYKVJPZWGUCFO-UHFFFAOYSA-N
MW387.37 g/mol
LogP3.65
Rot. Bonds4

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

N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]benzohydrazide (PubChem CID 6411702) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]benzohydrazide.

Molecular Properties

Compound NameN',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]benzohydrazide
PubChem CID6411702
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC NameN',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]benzohydrazide
SMILESCc1cccc(C(=O)NN(C)c2nc(-c3ccccc3)nnc2C(F)(F)F)c1
InChIInChI=1S/C19H16F3N5O/c1-12-7-6-10-14(11-12)18(28)26-27(2)17-15(19(20,21)22)24-25-16(23-17)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,26,28)
InChIKeyQWYKVJPZWGUCFO-UHFFFAOYSA-N
XLogP3.65
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.65
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]benzohydrazide?
The IUPAC name of N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]benzohydrazide (CID 6411702) is N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]benzohydrazide.
What is the SMILES notation for N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]benzohydrazide?
The canonical SMILES for N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]benzohydrazide is Cc1cccc(C(=O)NN(C)c2nc(-c3ccccc3)nnc2C(F)(F)F)c1.
What is the InChIKey of N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]benzohydrazide?
The InChIKey is QWYKVJPZWGUCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c1-12-7-6-10-14(11-12)18(28)26-27(2)17-15(19(20,21)22)24-25-16(23-17)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,26,28).
What are the key properties of N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]benzohydrazide?
N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]benzohydrazide has a molecular weight of 387.37 g/mol, XLogP of 3.65, 4 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]benzohydrazide is sourced from PubChem (CID 6411702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).