3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol

C10H17N3OS — CID 80890920

IUPAC3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
SMILESCCCNc1cncc(SCCCO)n1
InChIInChI=1S/C10H17N3OS/c1-2-4-12-9-7-11-8-10(13-9)15-6-3-5-14/h7-8,14H,2-6H2,1H3,(H,12,13)
InChIKeyXIGNKXAPQPMWNX-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.77
Rot. Bonds7

About 3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol

3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol (PubChem CID 80890920) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
PubChem CID80890920
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
SMILESCCCNc1cncc(SCCCO)n1
InChIInChI=1S/C10H17N3OS/c1-2-4-12-9-7-11-8-10(13-9)15-6-3-5-14/h7-8,14H,2-6H2,1H3,(H,12,13)
InChIKeyXIGNKXAPQPMWNX-UHFFFAOYSA-N
XLogP1.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine
CID 80890057
6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine
CID 80890192
2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890913
3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol
CID 80890486
2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol
CID 131159984
3-[2-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890566
6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine
CID 80892831
N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine
CID 80890961
2-[2-hydroxyethyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
CID 80797495
3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311883
6-chloro-N-propylpyrazin-2-amine
CID 26370207
6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine
CID 80891650

Frequently Asked Questions

What is the IUPAC name of 3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol?
The IUPAC name of 3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol (CID 80890920) is 3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol.
What is the SMILES notation for 3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol?
The canonical SMILES for 3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol is CCCNc1cncc(SCCCO)n1.
What is the InChIKey of 3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol?
The InChIKey is XIGNKXAPQPMWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-2-4-12-9-7-11-8-10(13-9)15-6-3-5-14/h7-8,14H,2-6H2,1H3,(H,12,13).
What are the key properties of 3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol?
3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol is sourced from PubChem (CID 80890920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).