N',N'-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide

C16H15N5OS — CID 2342815

IUPACN',N'-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide
SMILESO=C(CSc1ncn[nH]1)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N5OS/c22-15(11-23-16-17-12-18-19-16)20-21(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,20,22)(H,17,18,19)
InChIKeyMAKVENHBKHHIMY-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.77
Rot. Bonds6

About N',N'-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide

N',N'-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide (PubChem CID 2342815) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is N',N'-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide.

Molecular Properties

Compound NameN',N'-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide
PubChem CID2342815
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC NameN',N'-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide
SMILESO=C(CSc1ncn[nH]1)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N5OS/c22-15(11-23-16-17-12-18-19-16)20-21(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,20,22)(H,17,18,19)
InChIKeyMAKVENHBKHHIMY-UHFFFAOYSA-N
XLogP2.77
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.77
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',N'-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide?
The IUPAC name of N',N'-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide (CID 2342815) is N',N'-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide.
What is the SMILES notation for N',N'-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide?
The canonical SMILES for N',N'-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide is O=C(CSc1ncn[nH]1)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of N',N'-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide?
The InChIKey is MAKVENHBKHHIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c22-15(11-23-16-17-12-18-19-16)20-21(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,20,22)(H,17,18,19).
What are the key properties of N',N'-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide?
N',N'-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide has a molecular weight of 325.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide is sourced from PubChem (CID 2342815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).