5-amino-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide

C10H11N5O2S — CID 55128846

IUPAC5-amino-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide
SMILESCn1c(Sc2ccc(N)cc2C(N)=O)n[nH]c1=O
InChIInChI=1S/C10H11N5O2S/c1-15-9(17)13-14-10(15)18-7-3-2-5(11)4-6(7)8(12)16/h2-4H,11H2,1H3,(H2,12,16)(H,13,17)
InChIKeyVNOCAJUZANMZSD-UHFFFAOYSA-N
MW265.30 g/mol
LogP-0.06
Rot. Bonds3

About 5-amino-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide

5-amino-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide (PubChem CID 55128846) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 5-amino-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name5-amino-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide
PubChem CID55128846
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name5-amino-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide
SMILESCn1c(Sc2ccc(N)cc2C(N)=O)n[nH]c1=O
InChIInChI=1S/C10H11N5O2S/c1-15-9(17)13-14-10(15)18-7-3-2-5(11)4-6(7)8(12)16/h2-4H,11H2,1H3,(H2,12,16)(H,13,17)
InChIKeyVNOCAJUZANMZSD-UHFFFAOYSA-N
XLogP-0.06
TPSA119.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide?
The IUPAC name of 5-amino-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide (CID 55128846) is 5-amino-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide.
What is the SMILES notation for 5-amino-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide?
The canonical SMILES for 5-amino-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide is Cn1c(Sc2ccc(N)cc2C(N)=O)n[nH]c1=O.
What is the InChIKey of 5-amino-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide?
The InChIKey is VNOCAJUZANMZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-15-9(17)13-14-10(15)18-7-3-2-5(11)4-6(7)8(12)16/h2-4H,11H2,1H3,(H2,12,16)(H,13,17).
What are the key properties of 5-amino-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide?
5-amino-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide has a molecular weight of 265.30 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide is sourced from PubChem (CID 55128846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).