2,3,4,6,7,8-hexahydropyrazino[1,2-a]pyrazin-1-one;hydrochloride

C7H12ClN3O — CID 67975814

IUPAC2,3,4,6,7,8-hexahydropyrazino[1,2-a]pyrazin-1-one;hydrochloride
SMILESCl.O=C1NCCN2CCNC=C12
InChIInChI=1S/C7H11N3O.ClH/c11-7-6-5-8-1-3-10(6)4-2-9-7;/h5,8H,1-4H2,(H,9,11);1H
InChIKeyDPWWKDNJLNQZRJ-UHFFFAOYSA-N
MW189.65 g/mol
LogP-0.72
Rot. Bonds

About 2,3,4,6,7,8-hexahydropyrazino[1,2-a]pyrazin-1-one;hydrochloride

2,3,4,6,7,8-hexahydropyrazino[1,2-a]pyrazin-1-one;hydrochloride (PubChem CID 67975814) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 2,3,4,6,7,8-hexahydropyrazino[1,2-a]pyrazin-1-one;hydrochloride.

Molecular Properties

Compound Name2,3,4,6,7,8-hexahydropyrazino[1,2-a]pyrazin-1-one;hydrochloride
PubChem CID67975814
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name2,3,4,6,7,8-hexahydropyrazino[1,2-a]pyrazin-1-one;hydrochloride
SMILESCl.O=C1NCCN2CCNC=C12
InChIInChI=1S/C7H11N3O.ClH/c11-7-6-5-8-1-3-10(6)4-2-9-7;/h5,8H,1-4H2,(H,9,11);1H
InChIKeyDPWWKDNJLNQZRJ-UHFFFAOYSA-N
XLogP-0.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8-hexahydropyrazino[1,2-a]pyrazin-1-one;hydrochloride?
The IUPAC name of 2,3,4,6,7,8-hexahydropyrazino[1,2-a]pyrazin-1-one;hydrochloride (CID 67975814) is 2,3,4,6,7,8-hexahydropyrazino[1,2-a]pyrazin-1-one;hydrochloride.
What is the SMILES notation for 2,3,4,6,7,8-hexahydropyrazino[1,2-a]pyrazin-1-one;hydrochloride?
The canonical SMILES for 2,3,4,6,7,8-hexahydropyrazino[1,2-a]pyrazin-1-one;hydrochloride is Cl.O=C1NCCN2CCNC=C12.
What is the InChIKey of 2,3,4,6,7,8-hexahydropyrazino[1,2-a]pyrazin-1-one;hydrochloride?
The InChIKey is DPWWKDNJLNQZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.ClH/c11-7-6-5-8-1-3-10(6)4-2-9-7;/h5,8H,1-4H2,(H,9,11);1H.
What are the key properties of 2,3,4,6,7,8-hexahydropyrazino[1,2-a]pyrazin-1-one;hydrochloride?
2,3,4,6,7,8-hexahydropyrazino[1,2-a]pyrazin-1-one;hydrochloride has a molecular weight of 189.65 g/mol, XLogP of -0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8-hexahydropyrazino[1,2-a]pyrazin-1-one;hydrochloride is sourced from PubChem (CID 67975814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).