N'-[3-(triazol-1-yl)cyclobutanecarbonyl]thiophene-2-carbohydrazide

C12H13N5O2S — CID 166265181

IUPACN'-[3-(triazol-1-yl)cyclobutanecarbonyl]thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)C1CC(n2ccnn2)C1)c1cccs1
InChIInChI=1S/C12H13N5O2S/c18-11(14-15-12(19)10-2-1-5-20-10)8-6-9(7-8)17-4-3-13-16-17/h1-5,8-9H,6-7H2,(H,14,18)(H,15,19)
InChIKeyJAYQGAVVCDEEHX-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.75
Rot. Bonds3

About N'-[3-(triazol-1-yl)cyclobutanecarbonyl]thiophene-2-carbohydrazide

N'-[3-(triazol-1-yl)cyclobutanecarbonyl]thiophene-2-carbohydrazide (PubChem CID 166265181) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is N'-[3-(triazol-1-yl)cyclobutanecarbonyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(triazol-1-yl)cyclobutanecarbonyl]thiophene-2-carbohydrazide
PubChem CID166265181
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC NameN'-[3-(triazol-1-yl)cyclobutanecarbonyl]thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)C1CC(n2ccnn2)C1)c1cccs1
InChIInChI=1S/C12H13N5O2S/c18-11(14-15-12(19)10-2-1-5-20-10)8-6-9(7-8)17-4-3-13-16-17/h1-5,8-9H,6-7H2,(H,14,18)(H,15,19)
InChIKeyJAYQGAVVCDEEHX-UHFFFAOYSA-N
XLogP0.75
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.75
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-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide
CID 91814777
N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide
CID 60674119
N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide
CID 691734
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
trans-(1R,2R)-2-[(thiophene-2-carbonylamino)carbamoyl]cyclohexane-1-carboxylic acid
CID 6544086
1-amino-3-(thiophene-2-carbonylamino)urea
CID 141065921
1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid
CID 43441254
N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide
CID 4507493
N-[1-oxo-1-[[3-(triazol-1-ylmethyl)cyclobutyl]amino]propan-2-yl]thiophene-2-carboxamide
CID 166308307
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-methylcyclopropane-1-carboxylate
CID 4885518
trans-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 2539027
N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide
CID 9479339

Frequently Asked Questions

What is the IUPAC name of N'-[3-(triazol-1-yl)cyclobutanecarbonyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[3-(triazol-1-yl)cyclobutanecarbonyl]thiophene-2-carbohydrazide (CID 166265181) is N'-[3-(triazol-1-yl)cyclobutanecarbonyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[3-(triazol-1-yl)cyclobutanecarbonyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[3-(triazol-1-yl)cyclobutanecarbonyl]thiophene-2-carbohydrazide is O=C(NNC(=O)C1CC(n2ccnn2)C1)c1cccs1.
What is the InChIKey of N'-[3-(triazol-1-yl)cyclobutanecarbonyl]thiophene-2-carbohydrazide?
The InChIKey is JAYQGAVVCDEEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c18-11(14-15-12(19)10-2-1-5-20-10)8-6-9(7-8)17-4-3-13-16-17/h1-5,8-9H,6-7H2,(H,14,18)(H,15,19).
What are the key properties of N'-[3-(triazol-1-yl)cyclobutanecarbonyl]thiophene-2-carbohydrazide?
N'-[3-(triazol-1-yl)cyclobutanecarbonyl]thiophene-2-carbohydrazide has a molecular weight of 291.34 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(triazol-1-yl)cyclobutanecarbonyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 166265181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).