3-[5-amino-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-yl]phenol

C18H26N6O — CID 126472160

IUPAC3-[5-amino-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-yl]phenol
SMILESCN(C)CCN1CCN(c2nc(-c3cccc(O)c3)cnc2N)CC1
InChIInChI=1S/C18H26N6O/c1-22(2)6-7-23-8-10-24(11-9-23)18-17(19)20-13-16(21-18)14-4-3-5-15(25)12-14/h3-5,12-13,25H,6-11H2,1-2H3,(H2,19,20)
InChIKeyFWIIHZJBGQUCFI-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.12
Rot. Bonds5

About 3-[5-amino-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-yl]phenol

3-[5-amino-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-yl]phenol (PubChem CID 126472160) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 3-[5-amino-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name3-[5-amino-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-yl]phenol
PubChem CID126472160
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name3-[5-amino-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-yl]phenol
SMILESCN(C)CCN1CCN(c2nc(-c3cccc(O)c3)cnc2N)CC1
InChIInChI=1S/C18H26N6O/c1-22(2)6-7-23-8-10-24(11-9-23)18-17(19)20-13-16(21-18)14-4-3-5-15(25)12-14/h3-5,12-13,25H,6-11H2,1-2H3,(H2,19,20)
InChIKeyFWIIHZJBGQUCFI-UHFFFAOYSA-N
XLogP1.12
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-yl]phenol?
The IUPAC name of 3-[5-amino-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-yl]phenol (CID 126472160) is 3-[5-amino-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-yl]phenol.
What is the SMILES notation for 3-[5-amino-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-yl]phenol?
The canonical SMILES for 3-[5-amino-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-yl]phenol is CN(C)CCN1CCN(c2nc(-c3cccc(O)c3)cnc2N)CC1.
What is the InChIKey of 3-[5-amino-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-yl]phenol?
The InChIKey is FWIIHZJBGQUCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-22(2)6-7-23-8-10-24(11-9-23)18-17(19)20-13-16(21-18)14-4-3-5-15(25)12-14/h3-5,12-13,25H,6-11H2,1-2H3,(H2,19,20).
What are the key properties of 3-[5-amino-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-yl]phenol?
3-[5-amino-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-yl]phenol has a molecular weight of 342.45 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-yl]phenol is sourced from PubChem (CID 126472160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).