1-[5-(1-hydroxypropyl)-3,6-dimethylpyrazin-2-yl]propan-1-ol

C12H20N2O2 — CID 141337771

IUPAC1-[5-(1-hydroxypropyl)-3,6-dimethylpyrazin-2-yl]propan-1-ol
SMILESCCC(O)c1nc(C)c(C(O)CC)nc1C
InChIInChI=1S/C12H20N2O2/c1-5-9(15)11-7(3)14-12(8(4)13-11)10(16)6-2/h9-10,15-16H,5-6H2,1-4H3
InChIKeyBFUMPGIXGNWDAH-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.98
Rot. Bonds4

About 1-[5-(1-hydroxypropyl)-3,6-dimethylpyrazin-2-yl]propan-1-ol

1-[5-(1-hydroxypropyl)-3,6-dimethylpyrazin-2-yl]propan-1-ol (PubChem CID 141337771) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[5-(1-hydroxypropyl)-3,6-dimethylpyrazin-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(1-hydroxypropyl)-3,6-dimethylpyrazin-2-yl]propan-1-ol
PubChem CID141337771
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[5-(1-hydroxypropyl)-3,6-dimethylpyrazin-2-yl]propan-1-ol
SMILESCCC(O)c1nc(C)c(C(O)CC)nc1C
InChIInChI=1S/C12H20N2O2/c1-5-9(15)11-7(3)14-12(8(4)13-11)10(16)6-2/h9-10,15-16H,5-6H2,1-4H3
InChIKeyBFUMPGIXGNWDAH-UHFFFAOYSA-N
XLogP1.98
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-hydroxypropyl)-3,6-dimethylpyrazin-2-yl]propan-1-ol?
The IUPAC name of 1-[5-(1-hydroxypropyl)-3,6-dimethylpyrazin-2-yl]propan-1-ol (CID 141337771) is 1-[5-(1-hydroxypropyl)-3,6-dimethylpyrazin-2-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(1-hydroxypropyl)-3,6-dimethylpyrazin-2-yl]propan-1-ol?
The canonical SMILES for 1-[5-(1-hydroxypropyl)-3,6-dimethylpyrazin-2-yl]propan-1-ol is CCC(O)c1nc(C)c(C(O)CC)nc1C.
What is the InChIKey of 1-[5-(1-hydroxypropyl)-3,6-dimethylpyrazin-2-yl]propan-1-ol?
The InChIKey is BFUMPGIXGNWDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-9(15)11-7(3)14-12(8(4)13-11)10(16)6-2/h9-10,15-16H,5-6H2,1-4H3.
What are the key properties of 1-[5-(1-hydroxypropyl)-3,6-dimethylpyrazin-2-yl]propan-1-ol?
1-[5-(1-hydroxypropyl)-3,6-dimethylpyrazin-2-yl]propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-hydroxypropyl)-3,6-dimethylpyrazin-2-yl]propan-1-ol is sourced from PubChem (CID 141337771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).