2-phenyl-N-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide

C17H15N5O — CID 23622562

IUPAC2-phenyl-N-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide
SMILESNN(C(=O)Cc1ccccc1)c1nncc(-c2ccccc2)n1
InChIInChI=1S/C17H15N5O/c18-22(16(23)11-13-7-3-1-4-8-13)17-20-15(12-19-21-17)14-9-5-2-6-10-14/h1-10,12H,11,18H2
InChIKeyZRSGOQMROKKADZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.99
Rot. Bonds4

About 2-phenyl-N-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide

2-phenyl-N-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide (PubChem CID 23622562) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-phenyl-N-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-phenyl-N-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide
PubChem CID23622562
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-phenyl-N-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide
SMILESNN(C(=O)Cc1ccccc1)c1nncc(-c2ccccc2)n1
InChIInChI=1S/C17H15N5O/c18-22(16(23)11-13-7-3-1-4-8-13)17-20-15(12-19-21-17)14-9-5-2-6-10-14/h1-10,12H,11,18H2
InChIKeyZRSGOQMROKKADZ-UHFFFAOYSA-N
XLogP1.99
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide?
The IUPAC name of 2-phenyl-N-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide (CID 23622562) is 2-phenyl-N-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide.
What is the SMILES notation for 2-phenyl-N-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide?
The canonical SMILES for 2-phenyl-N-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide is NN(C(=O)Cc1ccccc1)c1nncc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide?
The InChIKey is ZRSGOQMROKKADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-22(16(23)11-13-7-3-1-4-8-13)17-20-15(12-19-21-17)14-9-5-2-6-10-14/h1-10,12H,11,18H2.
What are the key properties of 2-phenyl-N-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide?
2-phenyl-N-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide has a molecular weight of 305.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide is sourced from PubChem (CID 23622562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).