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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Related Compounds

CID 50569
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CID 50570
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CID 98542
CID 98542
CID 3042263
CID 3042263
CID 3053019
CID 3053019
CID 3053068
CID 3053068
CID 3053069
CID 3053069
CID 3053950
CID 3053950
CID 3053951
CID 3053951
CID 56642858
CID 56642858
CID 56642945
CID 56642945
CID 51090
CID 51090

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).