4-methyl-3-propan-2-yl-2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine

C11H21N3 — CID 176926920

IUPAC4-methyl-3-propan-2-yl-2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
SMILESCC1=C(C(C)C)NCC2CNCCN12
InChIInChI=1S/C11H21N3/c1-8(2)11-9(3)14-5-4-12-6-10(14)7-13-11/h8,10,12-13H,4-7H2,1-3H3
InChIKeyXPZMNZPPBZCCAT-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.75
Rot. Bonds1

About 4-methyl-3-propan-2-yl-2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine

4-methyl-3-propan-2-yl-2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (PubChem CID 176926920) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yl-2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine.

Molecular Properties

Compound Name4-methyl-3-propan-2-yl-2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
PubChem CID176926920
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4-methyl-3-propan-2-yl-2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
SMILESCC1=C(C(C)C)NCC2CNCCN12
InChIInChI=1S/C11H21N3/c1-8(2)11-9(3)14-5-4-12-6-10(14)7-13-11/h8,10,12-13H,4-7H2,1-3H3
InChIKeyXPZMNZPPBZCCAT-UHFFFAOYSA-N
XLogP0.75
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,4-dione;hydrochloride
CID 71755449
ethane;4-methyl-6-propan-2-yl-1,3,5,8,13-pentazatricyclo[9.4.0.02,7]pentadeca-2,4,6-triene
CID 176926717
2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline;dihydrochloride
CID 142652132
4-methyl-6-propan-2-yl-1,3,5,8,13-pentazatricyclo[9.4.0.02,7]pentadeca-2,4,6-trien-9-one
CID 176926438
2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride
CID 86811793
1-(azetidin-3-yl)piperazin-2-one
CID 163241212
3-[(2S)-2-methylpiperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 70649668
1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine
CID 64932305
7-methylsulfonyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
CID 82007591
2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine
CID 64938811
1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazine-2-carboxamide
CID 114787140
2-(3-hydroxybutyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione
CID 113399077

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yl-2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The IUPAC name of 4-methyl-3-propan-2-yl-2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (CID 176926920) is 4-methyl-3-propan-2-yl-2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine.
What is the SMILES notation for 4-methyl-3-propan-2-yl-2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The canonical SMILES for 4-methyl-3-propan-2-yl-2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine is CC1=C(C(C)C)NCC2CNCCN12.
What is the InChIKey of 4-methyl-3-propan-2-yl-2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The InChIKey is XPZMNZPPBZCCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(2)11-9(3)14-5-4-12-6-10(14)7-13-11/h8,10,12-13H,4-7H2,1-3H3.
What are the key properties of 4-methyl-3-propan-2-yl-2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
4-methyl-3-propan-2-yl-2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine has a molecular weight of 195.31 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yl-2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine is sourced from PubChem (CID 176926920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).