3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol

C9H15N3OS — CID 79232930

IUPAC3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol
SMILESNNc1cccc(CSCCCO)n1
InChIInChI=1S/C9H15N3OS/c10-12-9-4-1-3-8(11-9)7-14-6-2-5-13/h1,3-4,13H,2,5-7,10H2,(H,11,12)
InChIKeyYJHDEHFGKDTFGW-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.98
Rot. Bonds6

About 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol

3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol (PubChem CID 79232930) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol
PubChem CID79232930
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol
SMILESNNc1cccc(CSCCCO)n1
InChIInChI=1S/C9H15N3OS/c10-12-9-4-1-3-8(11-9)7-14-6-2-5-13/h1,3-4,13H,2,5-7,10H2,(H,11,12)
InChIKeyYJHDEHFGKDTFGW-UHFFFAOYSA-N
XLogP0.98
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]propan-1-ol
CID 79238821
4-[(6-hydrazinyl-2-pyridinyl)amino]butan-1-ol
CID 106847100
[6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine
CID 79233187
3-(quinolin-2-ylmethylsulfanyl)propan-1-ol
CID 66126376
3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol
CID 104591146
3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol
CID 103702970
3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311883
[6-(1,3-oxazol-2-ylsulfanylmethyl)-2-pyridinyl]hydrazine
CID 106925681
2-[2-[(6-hydrazinyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 107714111
[6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 79232113
[6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 79232663
2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 107226409

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol?
The IUPAC name of 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol (CID 79232930) is 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol is NNc1cccc(CSCCCO)n1.
What is the InChIKey of 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol?
The InChIKey is YJHDEHFGKDTFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c10-12-9-4-1-3-8(11-9)7-14-6-2-5-13/h1,3-4,13H,2,5-7,10H2,(H,11,12).
What are the key properties of 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol?
3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol has a molecular weight of 213.31 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 79232930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).