N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)-2-phenylacetohydrazide

C15H19N5O2 — CID 135634794

IUPACN'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)-2-phenylacetohydrazide
SMILESCC(C)(C)c1nnc(NNC(=O)Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C15H19N5O2/c1-15(2,3)12-13(22)16-14(20-18-12)19-17-11(21)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,17,21)(H2,16,19,20,22)
InChIKeyTTYZTXFDVBBUCJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.15
Rot. Bonds4

About N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)-2-phenylacetohydrazide

N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)-2-phenylacetohydrazide (PubChem CID 135634794) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)-2-phenylacetohydrazide
PubChem CID135634794
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)-2-phenylacetohydrazide
SMILESCC(C)(C)c1nnc(NNC(=O)Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C15H19N5O2/c1-15(2,3)12-13(22)16-14(20-18-12)19-17-11(21)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,17,21)(H2,16,19,20,22)
InChIKeyTTYZTXFDVBBUCJ-UHFFFAOYSA-N
XLogP1.15
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzonitrile
CID 135594190
3-[(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-tert-butyl-4H-1,2,4-triazin-5-one
CID 135754104
N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19137179
N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 82342385
6-tert-butyl-3-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135799281
2-(4-fluorophenyl)-N'-phenylacetohydrazide
CID 78774551
6-amino-3-(benzylamino)-4H-1,2,4-triazin-5-one
CID 136701605
6-tert-butyl-3-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136788843
2-bromo-N'-(6-ethyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide
CID 136665953
N-[methyl-bis[(2-phenylacetyl)amino]silyl]-2-phenylacetamide
CID 141205802
N'-(2-chloroacetyl)-2-phenylacetohydrazide
CID 1133001
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-phenylacetamide
CID 113354468

Frequently Asked Questions

What is the IUPAC name of N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)-2-phenylacetohydrazide?
The IUPAC name of N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)-2-phenylacetohydrazide (CID 135634794) is N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)-2-phenylacetohydrazide.
What is the SMILES notation for N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)-2-phenylacetohydrazide?
The canonical SMILES for N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)-2-phenylacetohydrazide is CC(C)(C)c1nnc(NNC(=O)Cc2ccccc2)[nH]c1=O.
What is the InChIKey of N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)-2-phenylacetohydrazide?
The InChIKey is TTYZTXFDVBBUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-15(2,3)12-13(22)16-14(20-18-12)19-17-11(21)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,17,21)(H2,16,19,20,22).
What are the key properties of N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)-2-phenylacetohydrazide?
N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)-2-phenylacetohydrazide has a molecular weight of 301.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)-2-phenylacetohydrazide is sourced from PubChem (CID 135634794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).