N'-phenyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzohydrazide

C15H13N5OS — CID 20615922

IUPACN'-phenyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzohydrazide
SMILESO=C(NNc1ccccc1)c1cccc(-n2cn[nH]c2=S)c1
InChIInChI=1S/C15H13N5OS/c21-14(18-17-12-6-2-1-3-7-12)11-5-4-8-13(9-11)20-10-16-19-15(20)22/h1-10,17H,(H,18,21)(H,19,22)
InChIKeyBEYAXUARNDHGMN-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.69
Rot. Bonds4

About N'-phenyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzohydrazide

N'-phenyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzohydrazide (PubChem CID 20615922) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is N'-phenyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzohydrazide.

Molecular Properties

Compound NameN'-phenyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzohydrazide
PubChem CID20615922
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC NameN'-phenyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzohydrazide
SMILESO=C(NNc1ccccc1)c1cccc(-n2cn[nH]c2=S)c1
InChIInChI=1S/C15H13N5OS/c21-14(18-17-12-6-2-1-3-7-12)11-5-4-8-13(9-11)20-10-16-19-15(20)22/h1-10,17H,(H,18,21)(H,19,22)
InChIKeyBEYAXUARNDHGMN-UHFFFAOYSA-N
XLogP2.69
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-phenyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzohydrazide?
The IUPAC name of N'-phenyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzohydrazide (CID 20615922) is N'-phenyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzohydrazide.
What is the SMILES notation for N'-phenyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzohydrazide?
The canonical SMILES for N'-phenyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzohydrazide is O=C(NNc1ccccc1)c1cccc(-n2cn[nH]c2=S)c1.
What is the InChIKey of N'-phenyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzohydrazide?
The InChIKey is BEYAXUARNDHGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c21-14(18-17-12-6-2-1-3-7-12)11-5-4-8-13(9-11)20-10-16-19-15(20)22/h1-10,17H,(H,18,21)(H,19,22).
What are the key properties of N'-phenyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzohydrazide?
N'-phenyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzohydrazide has a molecular weight of 311.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzohydrazide is sourced from PubChem (CID 20615922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).