1-(6-methylpyrazin-2-yl)oxy-1-(propan-2-ylamino)propan-2-ol

C11H19N3O2 — CID 135372382

IUPAC1-(6-methylpyrazin-2-yl)oxy-1-(propan-2-ylamino)propan-2-ol
SMILESCc1cncc(OC(NC(C)C)C(C)O)n1
InChIInChI=1S/C11H19N3O2/c1-7(2)13-11(9(4)15)16-10-6-12-5-8(3)14-10/h5-7,9,11,13,15H,1-4H3
InChIKeyUZGWRIBIQARGKU-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.87
Rot. Bonds5

About 1-(6-methylpyrazin-2-yl)oxy-1-(propan-2-ylamino)propan-2-ol

1-(6-methylpyrazin-2-yl)oxy-1-(propan-2-ylamino)propan-2-ol (PubChem CID 135372382) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(6-methylpyrazin-2-yl)oxy-1-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(6-methylpyrazin-2-yl)oxy-1-(propan-2-ylamino)propan-2-ol
PubChem CID135372382
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(6-methylpyrazin-2-yl)oxy-1-(propan-2-ylamino)propan-2-ol
SMILESCc1cncc(OC(NC(C)C)C(C)O)n1
InChIInChI=1S/C11H19N3O2/c1-7(2)13-11(9(4)15)16-10-6-12-5-8(3)14-10/h5-7,9,11,13,15H,1-4H3
InChIKeyUZGWRIBIQARGKU-UHFFFAOYSA-N
XLogP0.87
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(6-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)pyrazin-2-yl)methanol
CID 104564158
3-[3-(Tert-butylamino)-2-hydroxypropoxy]pyrazine-2-carbonitrile
CID 12583772
[5-(Propan-2-yloxy)pyrazin-2-yl]methanamine
CID 64287828
N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine
CID 132024830
(2S)-N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine
CID 132024837
ethane;N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine;hydrochloride
CID 145383147
1,1,1-Trifluoro-3-(5-methylpyrazin-2-yl)oxypropan-2-ol
CID 171759196
2-Methyl-6-propan-2-yloxypyrazine
CID 21578904
N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66467967
N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66468184
N-[[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-2-amine
CID 113952468
N-[[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-1-amine
CID 113952470

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyrazin-2-yl)oxy-1-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(6-methylpyrazin-2-yl)oxy-1-(propan-2-ylamino)propan-2-ol (CID 135372382) is 1-(6-methylpyrazin-2-yl)oxy-1-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(6-methylpyrazin-2-yl)oxy-1-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(6-methylpyrazin-2-yl)oxy-1-(propan-2-ylamino)propan-2-ol is Cc1cncc(OC(NC(C)C)C(C)O)n1.
What is the InChIKey of 1-(6-methylpyrazin-2-yl)oxy-1-(propan-2-ylamino)propan-2-ol?
The InChIKey is UZGWRIBIQARGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)13-11(9(4)15)16-10-6-12-5-8(3)14-10/h5-7,9,11,13,15H,1-4H3.
What are the key properties of 1-(6-methylpyrazin-2-yl)oxy-1-(propan-2-ylamino)propan-2-ol?
1-(6-methylpyrazin-2-yl)oxy-1-(propan-2-ylamino)propan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyrazin-2-yl)oxy-1-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 135372382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).