1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol

C10H17N3O2 — CID 104516706

IUPAC1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1nccnc1OC
InChIInChI=1S/C10H17N3O2/c1-3-4-11-7-8(14)9-10(15-2)13-6-5-12-9/h5-6,8,11,14H,3-4,7H2,1-2H3
InChIKeyGYWLGMLYMWAVHV-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.52
Rot. Bonds6

About 1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol

1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol (PubChem CID 104516706) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol
PubChem CID104516706
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1nccnc1OC
InChIInChI=1S/C10H17N3O2/c1-3-4-11-7-8(14)9-10(15-2)13-6-5-12-9/h5-6,8,11,14H,3-4,7H2,1-2H3
InChIKeyGYWLGMLYMWAVHV-UHFFFAOYSA-N
XLogP0.52
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.52
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

2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol
CID 104516709
3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine
CID 104516432
1-(3-methoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105123869
4-methoxy-1-(3-methoxypyrazin-2-yl)pentan-1-ol
CID 105123882
N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 105032098
1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine
CID 113421622
2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
CID 104515831
1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol
CID 115831089
1-(3-methoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 104515130
1-(3-methoxypyrazin-2-yl)-N,2-dimethylbutan-1-amine
CID 104515585
N-[(3-methoxypyrazin-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105031971
N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105178702

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol (CID 104516706) is 1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol is CCCNCC(O)c1nccnc1OC.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol?
The InChIKey is GYWLGMLYMWAVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-4-11-7-8(14)9-10(15-2)13-6-5-12-9/h5-6,8,11,14H,3-4,7H2,1-2H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol?
1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol has a molecular weight of 211.26 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol is sourced from PubChem (CID 104516706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).