N'-acetyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide

C11H19N5O2S — CID 1451294

IUPACN'-acetyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
SMILESCCCc1nnc(SCC(=O)NNC(C)=O)n1CC
InChIInChI=1S/C11H19N5O2S/c1-4-6-9-13-15-11(16(9)5-2)19-7-10(18)14-12-8(3)17/h4-7H2,1-3H3,(H,12,17)(H,14,18)
InChIKeyXYKYJJWOGYCAJO-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.51
Rot. Bonds6

About N'-acetyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide

N'-acetyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide (PubChem CID 1451294) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N'-acetyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
PubChem CID1451294
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC NameN'-acetyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
SMILESCCCc1nnc(SCC(=O)NNC(C)=O)n1CC
InChIInChI=1S/C11H19N5O2S/c1-4-6-9-13-15-11(16(9)5-2)19-7-10(18)14-12-8(3)17/h4-7H2,1-3H3,(H,12,17)(H,14,18)
InChIKeyXYKYJJWOGYCAJO-UHFFFAOYSA-N
XLogP0.51
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 9378122
N-(4-chlorophenyl)-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8708511
N-(4-bromophenyl)-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8708066
N'-acetyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 7625313
2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 1451295
N-(2,5-dimethoxyphenyl)-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8708074
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide
CID 63313356
N'-acetyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 7675458
2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 1451264
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 55204676
N-cyclopropyl-2-[[4-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 51686747
2-[[4-(3-methoxy-3-oxopropyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 61293909

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
The IUPAC name of N'-acetyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide (CID 1451294) is N'-acetyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide.
What is the SMILES notation for N'-acetyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
The canonical SMILES for N'-acetyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide is CCCc1nnc(SCC(=O)NNC(C)=O)n1CC.
What is the InChIKey of N'-acetyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
The InChIKey is XYKYJJWOGYCAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-4-6-9-13-15-11(16(9)5-2)19-7-10(18)14-12-8(3)17/h4-7H2,1-3H3,(H,12,17)(H,14,18).
What are the key properties of N'-acetyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
N'-acetyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide has a molecular weight of 285.37 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide is sourced from PubChem (CID 1451294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).