[5-[2-(dimethylamino)ethyl-propylamino]pyrazin-2-yl]methanol

C12H22N4O — CID 107372809

IUPAC[5-[2-(dimethylamino)ethyl-propylamino]pyrazin-2-yl]methanol
SMILESCCCN(CCN(C)C)c1cnc(CO)cn1
InChIInChI=1S/C12H22N4O/c1-4-5-16(7-6-15(2)3)12-9-13-11(10-17)8-14-12/h8-9,17H,4-7,10H2,1-3H3
InChIKeyJEKMUUVHCLZVEM-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.75
Rot. Bonds7

About [5-[2-(dimethylamino)ethyl-propylamino]pyrazin-2-yl]methanol

[5-[2-(dimethylamino)ethyl-propylamino]pyrazin-2-yl]methanol (PubChem CID 107372809) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [5-[2-(dimethylamino)ethyl-propylamino]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[2-(dimethylamino)ethyl-propylamino]pyrazin-2-yl]methanol
PubChem CID107372809
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[5-[2-(dimethylamino)ethyl-propylamino]pyrazin-2-yl]methanol
SMILESCCCN(CCN(C)C)c1cnc(CO)cn1
InChIInChI=1S/C12H22N4O/c1-4-5-16(7-6-15(2)3)12-9-13-11(10-17)8-14-12/h8-9,17H,4-7,10H2,1-3H3
InChIKeyJEKMUUVHCLZVEM-UHFFFAOYSA-N
XLogP0.75
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(dimethylamino)ethyl-propylamino]pyrazin-2-yl]methanol?
The IUPAC name of [5-[2-(dimethylamino)ethyl-propylamino]pyrazin-2-yl]methanol (CID 107372809) is [5-[2-(dimethylamino)ethyl-propylamino]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[2-(dimethylamino)ethyl-propylamino]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[2-(dimethylamino)ethyl-propylamino]pyrazin-2-yl]methanol is CCCN(CCN(C)C)c1cnc(CO)cn1.
What is the InChIKey of [5-[2-(dimethylamino)ethyl-propylamino]pyrazin-2-yl]methanol?
The InChIKey is JEKMUUVHCLZVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-16(7-6-15(2)3)12-9-13-11(10-17)8-14-12/h8-9,17H,4-7,10H2,1-3H3.
What are the key properties of [5-[2-(dimethylamino)ethyl-propylamino]pyrazin-2-yl]methanol?
[5-[2-(dimethylamino)ethyl-propylamino]pyrazin-2-yl]methanol has a molecular weight of 238.33 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(dimethylamino)ethyl-propylamino]pyrazin-2-yl]methanol is sourced from PubChem (CID 107372809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).