6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide

C10H12N6OS — CID 106909736

IUPAC6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
SMILESCn1ncnc1SCc1cccc(C(=O)NN)n1
InChIInChI=1S/C10H12N6OS/c1-16-10(12-6-13-16)18-5-7-3-2-4-8(14-7)9(17)15-11/h2-4,6H,5,11H2,1H3,(H,15,17)
InChIKeyDSRUZOIUUZARHM-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.11
Rot. Bonds4

About 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide

6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide (PubChem CID 106909736) has the molecular formula C10H12N6OS and a molecular weight of 264.31 g/mol. Its IUPAC name is 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
PubChem CID106909736
Molecular FormulaC10H12N6OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC Name6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
SMILESCn1ncnc1SCc1cccc(C(=O)NN)n1
InChIInChI=1S/C10H12N6OS/c1-16-10(12-6-13-16)18-5-7-3-2-4-8(14-7)9(17)15-11/h2-4,6H,5,11H2,1H3,(H,15,17)
InChIKeyDSRUZOIUUZARHM-UHFFFAOYSA-N
XLogP0.11
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide (CID 106909736) is 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide is Cn1ncnc1SCc1cccc(C(=O)NN)n1.
What is the InChIKey of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide?
The InChIKey is DSRUZOIUUZARHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS/c1-16-10(12-6-13-16)18-5-7-3-2-4-8(14-7)9(17)15-11/h2-4,6H,5,11H2,1H3,(H,15,17).
What are the key properties of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide?
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide has a molecular weight of 264.31 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).