6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide

C10H13N3O2S — CID 106909718

IUPAC6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(CSC2COC2)n1
InChIInChI=1S/C10H13N3O2S/c11-13-10(14)9-3-1-2-7(12-9)6-16-8-4-15-5-8/h1-3,8H,4-6,11H2,(H,13,14)
InChIKeyMWXWVSBKUGEOBZ-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.32
Rot. Bonds4

About 6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide

6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide (PubChem CID 106909718) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide
PubChem CID106909718
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(CSC2COC2)n1
InChIInChI=1S/C10H13N3O2S/c11-13-10(14)9-3-1-2-7(12-9)6-16-8-4-15-5-8/h1-3,8H,4-6,11H2,(H,13,14)
InChIKeyMWXWVSBKUGEOBZ-UHFFFAOYSA-N
XLogP0.32
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909697
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909736
6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909676
6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide
CID 106909598
6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909660
6-[[bis(cyclopropylmethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909293
6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909693
6-[(4-nitrophenyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909631
6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide
CID 106908998
6-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909004
4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide
CID 107459218
6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909021

Frequently Asked Questions

What is the IUPAC name of 6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide?
The IUPAC name of 6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide (CID 106909718) is 6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide.
What is the SMILES notation for 6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide?
The canonical SMILES for 6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide is NNC(=O)c1cccc(CSC2COC2)n1.
What is the InChIKey of 6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide?
The InChIKey is MWXWVSBKUGEOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c11-13-10(14)9-3-1-2-7(12-9)6-16-8-4-15-5-8/h1-3,8H,4-6,11H2,(H,13,14).
What are the key properties of 6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide?
6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide has a molecular weight of 239.30 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 106909718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).