2,3,4,6,6a,7-hexahydro-1H-pyrazino[2,1-b]quinazoline

C11H15N3 — CID 139509851

IUPAC2,3,4,6,6a,7-hexahydro-1H-pyrazino[2,1-b]quinazoline
SMILESC1=CCC2CN3CCNCC3=NC2=C1
InChIInChI=1S/C11H15N3/c1-2-4-10-9(3-1)8-14-6-5-12-7-11(14)13-10/h1-2,4,9,12H,3,5-8H2
InChIKeyOQGNHUBVIZXIPB-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.76
Rot. Bonds

About 2,3,4,6,6a,7-hexahydro-1H-pyrazino[2,1-b]quinazoline

2,3,4,6,6a,7-hexahydro-1H-pyrazino[2,1-b]quinazoline (PubChem CID 139509851) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,3,4,6,6a,7-hexahydro-1H-pyrazino[2,1-b]quinazoline.

Molecular Properties

Compound Name2,3,4,6,6a,7-hexahydro-1H-pyrazino[2,1-b]quinazoline
PubChem CID139509851
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2,3,4,6,6a,7-hexahydro-1H-pyrazino[2,1-b]quinazoline
SMILESC1=CCC2CN3CCNCC3=NC2=C1
InChIInChI=1S/C11H15N3/c1-2-4-10-9(3-1)8-14-6-5-12-7-11(14)13-10/h1-2,4,9,12H,3,5-8H2
InChIKeyOQGNHUBVIZXIPB-UHFFFAOYSA-N
XLogP0.76
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Octahydropyrimido [4,5-b]quinoline
CID 129832914
2,3,4,4a,5,5a,6,10-Octahydropyrido[3,2-b]quinoxaline
CID 66709930
1,4,4a,5-Tetrahydroquinazolin-2-ylmethanimine
CID 91150477
2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline
CID 141050651
2-(2-Propan-2-ylpiperazin-1-yl)-6,7-dihydroquinoxaline
CID 145693922
1,2,3,4,5a,6-Hexahydropyrazino[1,2-a]benzimidazole
CID 177753569

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,6a,7-hexahydro-1H-pyrazino[2,1-b]quinazoline?
The IUPAC name of 2,3,4,6,6a,7-hexahydro-1H-pyrazino[2,1-b]quinazoline (CID 139509851) is 2,3,4,6,6a,7-hexahydro-1H-pyrazino[2,1-b]quinazoline.
What is the SMILES notation for 2,3,4,6,6a,7-hexahydro-1H-pyrazino[2,1-b]quinazoline?
The canonical SMILES for 2,3,4,6,6a,7-hexahydro-1H-pyrazino[2,1-b]quinazoline is C1=CCC2CN3CCNCC3=NC2=C1.
What is the InChIKey of 2,3,4,6,6a,7-hexahydro-1H-pyrazino[2,1-b]quinazoline?
The InChIKey is OQGNHUBVIZXIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-4-10-9(3-1)8-14-6-5-12-7-11(14)13-10/h1-2,4,9,12H,3,5-8H2.
What are the key properties of 2,3,4,6,6a,7-hexahydro-1H-pyrazino[2,1-b]quinazoline?
2,3,4,6,6a,7-hexahydro-1H-pyrazino[2,1-b]quinazoline has a molecular weight of 189.26 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,6a,7-hexahydro-1H-pyrazino[2,1-b]quinazoline is sourced from PubChem (CID 139509851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).