2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide

C11H14N6OS — CID 55223405

IUPAC2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(Sc2nnc(C)n2C)n1
InChIInChI=1S/C11H14N6OS/c1-6-4-5-8(9(12)16-18)10(13-6)19-11-15-14-7(2)17(11)3/h4-5,18H,1-3H3,(H2,12,16)
InChIKeyBKWWXLUIFWCTPD-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.07
Rot. Bonds3

About 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 55223405) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID55223405
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(Sc2nnc(C)n2C)n1
InChIInChI=1S/C11H14N6OS/c1-6-4-5-8(9(12)16-18)10(13-6)19-11-15-14-7(2)17(11)3/h4-5,18H,1-3H3,(H2,12,16)
InChIKeyBKWWXLUIFWCTPD-UHFFFAOYSA-N
XLogP1.07
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 55223405) is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide is Cc1ccc(/C(N)=N/O)c(Sc2nnc(C)n2C)n1.
What is the InChIKey of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is BKWWXLUIFWCTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-6-4-5-8(9(12)16-18)10(13-6)19-11-15-14-7(2)17(11)3/h4-5,18H,1-3H3,(H2,12,16).
What are the key properties of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 278.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 55223405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).