N'-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]acetohydrazide

C11H10ClN5O — CID 3053957

IUPACN'-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]acetohydrazide
SMILESCC(=O)NNc1nncc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H10ClN5O/c1-7(18)15-17-11-14-10(6-13-16-11)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,15,18)(H,14,16,17)
InChIKeyMZBUMFFDKRQBPO-UHFFFAOYSA-N
MW263.69 g/mol
LogP1.65
Rot. Bonds3

About N'-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]acetohydrazide

N'-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]acetohydrazide (PubChem CID 3053957) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is N'-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]acetohydrazide
PubChem CID3053957
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC NameN'-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]acetohydrazide
SMILESCC(=O)NNc1nncc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H10ClN5O/c1-7(18)15-17-11-14-10(6-13-16-11)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,15,18)(H,14,16,17)
InChIKeyMZBUMFFDKRQBPO-UHFFFAOYSA-N
XLogP1.65
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.65
H-Bond Donors ≤ 52
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'-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]acetohydrazide?
The IUPAC name of N'-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]acetohydrazide (CID 3053957) is N'-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]acetohydrazide.
What is the SMILES notation for N'-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]acetohydrazide?
The canonical SMILES for N'-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]acetohydrazide is CC(=O)NNc1nncc(-c2cccc(Cl)c2)n1.
What is the InChIKey of N'-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]acetohydrazide?
The InChIKey is MZBUMFFDKRQBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c1-7(18)15-17-11-14-10(6-13-16-11)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,15,18)(H,14,16,17).
What are the key properties of N'-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]acetohydrazide?
N'-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]acetohydrazide has a molecular weight of 263.69 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]acetohydrazide is sourced from PubChem (CID 3053957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).