2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline

C11H13N3 — CID 141050651

IUPAC2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline
SMILESC1=CC2=CN=C3CNCCN3C2C=C1
InChIInChI=1S/C11H13N3/c1-2-4-10-9(3-1)7-13-11-8-12-5-6-14(10)11/h1-4,7,10,12H,5-6,8H2
InChIKeySYNZZHRSZUVRNW-UHFFFAOYSA-N
MW187.25 g/mol
LogP0.68
Rot. Bonds

About 2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline

2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline (PubChem CID 141050651) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline.

Molecular Properties

Compound Name2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline
PubChem CID141050651
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline
SMILESC1=CC2=CN=C3CNCCN3C2C=C1
InChIInChI=1S/C11H13N3/c1-2-4-10-9(3-1)7-13-11-8-12-5-6-14(10)11/h1-4,7,10,12H,5-6,8H2
InChIKeySYNZZHRSZUVRNW-UHFFFAOYSA-N
XLogP0.68
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline with MolForge

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Related Compounds

2,3,4,4a,5,5a,6,10-Octahydropyrido[3,2-b]quinoxaline
CID 66709930
6-ethyl-2-piperazin-1-yl-3H-azepine
CID 132001988
1,8a-Dihydro-1,7-naphthyridin-8-amine
CID 141890607
2,3-bis(ethenyl)-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine
CID 144206782
8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine
CID 170048765
1,2,3,4,5a,6-Hexahydropyrazino[1,2-a]benzimidazole
CID 177753569
2,3,4,6,6a,7-hexahydro-1H-pyrazino[2,1-b]quinazoline
CID 139509851
N-[(3Z,5Z)-2,3-dimethylhepta-1,3,5-trien-4-yl]-1-piperazin-1-ylethanimine
CID 141771390
(2E)-1-[4-cyclopropylidene-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 142511188
(2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine
CID 142511433
2-(3-ethylpiperazin-1-yl)-6-methyl-3H-azepine
CID 142941169

Frequently Asked Questions

What is the IUPAC name of 2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline?
The IUPAC name of 2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline (CID 141050651) is 2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline.
What is the SMILES notation for 2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline?
The canonical SMILES for 2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline is C1=CC2=CN=C3CNCCN3C2C=C1.
What is the InChIKey of 2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline?
The InChIKey is SYNZZHRSZUVRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-4-10-9(3-1)7-13-11-8-12-5-6-14(10)11/h1-4,7,10,12H,5-6,8H2.
What are the key properties of 2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline?
2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline has a molecular weight of 187.25 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline is sourced from PubChem (CID 141050651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).