2-bromo-N'-(6-ethyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide

C12H12BrN5O2 — CID 136665953

IUPAC2-bromo-N'-(6-ethyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide
SMILESCCc1nnc(NNC(=O)c2ccccc2Br)[nH]c1=O
InChIInChI=1S/C12H12BrN5O2/c1-2-9-11(20)14-12(17-15-9)18-16-10(19)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3,(H,16,19)(H2,14,17,18,20)
InChIKeyMQBYSTYTICQYAU-UHFFFAOYSA-N
MW338.17 g/mol
LogP1.25
Rot. Bonds4

About 2-bromo-N'-(6-ethyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide

2-bromo-N'-(6-ethyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide (PubChem CID 136665953) has the molecular formula C12H12BrN5O2 and a molecular weight of 338.17 g/mol. Its IUPAC name is 2-bromo-N'-(6-ethyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-(6-ethyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide
PubChem CID136665953
Molecular FormulaC12H12BrN5O2
Molecular Weight338.17 g/mol
Exact Mass337.02
IUPAC Name2-bromo-N'-(6-ethyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide
SMILESCCc1nnc(NNC(=O)c2ccccc2Br)[nH]c1=O
InChIInChI=1S/C12H12BrN5O2/c1-2-9-11(20)14-12(17-15-9)18-16-10(19)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3,(H,16,19)(H2,14,17,18,20)
InChIKeyMQBYSTYTICQYAU-UHFFFAOYSA-N
XLogP1.25
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 51.25
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-chloro-N'-[6-[(4-methylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]benzohydrazide
CID 135552000
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CID 9399855
1-[(2-bromobenzoyl)amino]-3-methylurea
CID 47140225
N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide
CID 4807983
2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide
CID 1313742
N'-(2-bromobenzoyl)-6-oxo-1H-pyridazine-3-carbohydrazide
CID 29264522
2-bromo-N-(2-methyltetrazol-5-yl)benzamide
CID 953438
(E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide
CID 6013499
N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623080
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethylbenzoate
CID 7775563
2-bromo-N-(2-methylbutan-2-yl)benzamide
CID 24700588
2-bromo-N'-[6-(ethylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23487180

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-(6-ethyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide?
The IUPAC name of 2-bromo-N'-(6-ethyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide (CID 136665953) is 2-bromo-N'-(6-ethyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide.
What is the SMILES notation for 2-bromo-N'-(6-ethyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide?
The canonical SMILES for 2-bromo-N'-(6-ethyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide is CCc1nnc(NNC(=O)c2ccccc2Br)[nH]c1=O.
What is the InChIKey of 2-bromo-N'-(6-ethyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide?
The InChIKey is MQBYSTYTICQYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5O2/c1-2-9-11(20)14-12(17-15-9)18-16-10(19)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3,(H,16,19)(H2,14,17,18,20).
What are the key properties of 2-bromo-N'-(6-ethyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide?
2-bromo-N'-(6-ethyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide has a molecular weight of 338.17 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-(6-ethyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide is sourced from PubChem (CID 136665953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).