N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzohydrazide

C11H11N5O2S — CID 7784936

IUPACN'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzohydrazide
SMILESO=C(CSc1ncn[nH]1)NNC(=O)c1ccccc1
InChIInChI=1S/C11H11N5O2S/c17-9(6-19-11-12-7-13-16-11)14-15-10(18)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,17)(H,15,18)(H,12,13,16)
InChIKeyIOKPAZCKHOHGSP-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.36
Rot. Bonds4

About N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzohydrazide

N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzohydrazide (PubChem CID 7784936) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzohydrazide
PubChem CID7784936
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC NameN'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzohydrazide
SMILESO=C(CSc1ncn[nH]1)NNC(=O)c1ccccc1
InChIInChI=1S/C11H11N5O2S/c17-9(6-19-11-12-7-13-16-11)14-15-10(18)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,17)(H,15,18)(H,12,13,16)
InChIKeyIOKPAZCKHOHGSP-UHFFFAOYSA-N
XLogP0.36
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.36
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

4-methyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814664
N-(1,2,4)Triazol-4-YL-benzamide
CID 676579
2-Methyl-N-[1,2,4]triazol-4-yl-benzamide
CID 2247187
N'-[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 7845119
4-fluoro-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814674
4-methyl-N-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}benzamide
CID 1511773
Stk071589
CID 569519
2-Fluoro-N-[1,2,4]triazol-4-yl-benzamide
CID 814670
3,5-dimethyl-N-(1,2,4-triazol-4-yl)benzamide
CID 912545
4-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzohydrazide
CID 2360211
N,N-dimethylformamide;4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 16196117
4-chloro-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 2515041

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzohydrazide (CID 7784936) is N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzohydrazide is O=C(CSc1ncn[nH]1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzohydrazide?
The InChIKey is IOKPAZCKHOHGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c17-9(6-19-11-12-7-13-16-11)14-15-10(18)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,17)(H,15,18)(H,12,13,16).
What are the key properties of N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzohydrazide?
N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzohydrazide has a molecular weight of 277.31 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzohydrazide is sourced from PubChem (CID 7784936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).