6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide

C9H10N6OS — CID 106909598

IUPAC6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(CSc2ncn[nH]2)n1
InChIInChI=1S/C9H10N6OS/c10-14-8(16)7-3-1-2-6(13-7)4-17-9-11-5-12-15-9/h1-3,5H,4,10H2,(H,14,16)(H,11,12,15)
InChIKeyNZVVJLYUFMSJQC-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.10
Rot. Bonds4

About 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide

6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide (PubChem CID 106909598) has the molecular formula C9H10N6OS and a molecular weight of 250.29 g/mol. Its IUPAC name is 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide
PubChem CID106909598
Molecular FormulaC9H10N6OS
Molecular Weight250.29 g/mol
Exact Mass250.06
IUPAC Name6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(CSc2ncn[nH]2)n1
InChIInChI=1S/C9H10N6OS/c10-14-8(16)7-3-1-2-6(13-7)4-17-9-11-5-12-15-9/h1-3,5H,4,10H2,(H,14,16)(H,11,12,15)
InChIKeyNZVVJLYUFMSJQC-UHFFFAOYSA-N
XLogP0.10
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide?
The IUPAC name of 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide (CID 106909598) is 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide.
What is the SMILES notation for 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide?
The canonical SMILES for 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide is NNC(=O)c1cccc(CSc2ncn[nH]2)n1.
What is the InChIKey of 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide?
The InChIKey is NZVVJLYUFMSJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6OS/c10-14-8(16)7-3-1-2-6(13-7)4-17-9-11-5-12-15-9/h1-3,5H,4,10H2,(H,14,16)(H,11,12,15).
What are the key properties of 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide?
6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide has a molecular weight of 250.29 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 106909598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).