2-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol

C17H26N6O — CID 166888826

IUPAC2-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol
SMILESNCCN1CCN2C(/C=C(\N)c3ccccc3O)=C(N)NCC2C1
InChIInChI=1S/C17H26N6O/c18-5-6-22-7-8-23-12(11-22)10-21-17(20)15(23)9-14(19)13-3-1-2-4-16(13)24/h1-4,9,12,21,24H,5-8,10-11,18-20H2/b14-9-
InChIKeyXUKPQBYZTQNWTN-ZROIWOOFSA-N
MW330.44 g/mol
LogP-0.63
Rot. Bonds4

About 2-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol

2-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol (PubChem CID 166888826) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol.

Molecular Properties

Compound Name2-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol
PubChem CID166888826
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name2-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol
SMILESNCCN1CCN2C(/C=C(\N)c3ccccc3O)=C(N)NCC2C1
InChIInChI=1S/C17H26N6O/c18-5-6-22-7-8-23-12(11-22)10-21-17(20)15(23)9-14(19)13-3-1-2-4-16(13)24/h1-4,9,12,21,24H,5-8,10-11,18-20H2/b14-9-
InChIKeyXUKPQBYZTQNWTN-ZROIWOOFSA-N
XLogP-0.63
TPSA116.80 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 5-0.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol?
The IUPAC name of 2-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol (CID 166888826) is 2-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol.
What is the SMILES notation for 2-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol?
The canonical SMILES for 2-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol is NCCN1CCN2C(/C=C(\N)c3ccccc3O)=C(N)NCC2C1.
What is the InChIKey of 2-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol?
The InChIKey is XUKPQBYZTQNWTN-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H26N6O/c18-5-6-22-7-8-23-12(11-22)10-21-17(20)15(23)9-14(19)13-3-1-2-4-16(13)24/h1-4,9,12,21,24H,5-8,10-11,18-20H2/b14-9-.
What are the key properties of 2-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol?
2-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol has a molecular weight of 330.44 g/mol, XLogP of -0.63, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol is sourced from PubChem (CID 166888826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).