(6R,7R,10aR)-2,6,7-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a][1,4]diazepine

C11H23N3 — CID 177261861

IUPAC(6R,7R,10aR)-2,6,7-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a][1,4]diazepine
SMILESC[C@@H]1CNC[C@@H]2CN(C)CCN2[C@@H]1C
InChIInChI=1S/C11H23N3/c1-9-6-12-7-11-8-13(3)4-5-14(11)10(9)2/h9-12H,4-8H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyPUIUUOBSVRWXOS-GMTAPVOTSA-N
MW197.33 g/mol
LogP0.23
Rot. Bonds

About (6R,7R,10aR)-2,6,7-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a][1,4]diazepine

(6R,7R,10aR)-2,6,7-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a][1,4]diazepine (PubChem CID 177261861) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is (6R,7R,10aR)-2,6,7-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a][1,4]diazepine.

Molecular Properties

Compound Name(6R,7R,10aR)-2,6,7-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a][1,4]diazepine
PubChem CID177261861
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name(6R,7R,10aR)-2,6,7-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a][1,4]diazepine
SMILESC[C@@H]1CNC[C@@H]2CN(C)CCN2[C@@H]1C
InChIInChI=1S/C11H23N3/c1-9-6-12-7-11-8-13(3)4-5-14(11)10(9)2/h9-12H,4-8H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyPUIUUOBSVRWXOS-GMTAPVOTSA-N
XLogP0.23
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R,7R,10aR)-2,6,7-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a][1,4]diazepine with MolForge

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Related Compounds

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CID 20659800
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1-(3,5-dimethylpiperidin-4-yl)-4-methylpiperazine
CID 165468848
(4-methyl-1-pyrrolidin-3-ylpiperazin-2-yl)methanol
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1-(azetidin-3-yl)-2-methylazetidin-3-ol
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2,5-dimethyl-1-(1-methylpiperidin-3-yl)piperazine
CID 64936770
(4-methyl-1-piperidin-3-ylpiperazin-2-yl)methanol
CID 83821353
(9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol
CID 167214378
2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide
CID 79588814
(2S,6R)-2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholine
CID 141468118
(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 34180510
[1-(azetidin-3-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102789766

Frequently Asked Questions

What is the IUPAC name of (6R,7R,10aR)-2,6,7-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a][1,4]diazepine?
The IUPAC name of (6R,7R,10aR)-2,6,7-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a][1,4]diazepine (CID 177261861) is (6R,7R,10aR)-2,6,7-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a][1,4]diazepine.
What is the SMILES notation for (6R,7R,10aR)-2,6,7-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a][1,4]diazepine?
The canonical SMILES for (6R,7R,10aR)-2,6,7-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a][1,4]diazepine is C[C@@H]1CNC[C@@H]2CN(C)CCN2[C@@H]1C.
What is the InChIKey of (6R,7R,10aR)-2,6,7-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a][1,4]diazepine?
The InChIKey is PUIUUOBSVRWXOS-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H23N3/c1-9-6-12-7-11-8-13(3)4-5-14(11)10(9)2/h9-12H,4-8H2,1-3H3/t9-,10-,11-/m1/s1.
What are the key properties of (6R,7R,10aR)-2,6,7-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a][1,4]diazepine?
(6R,7R,10aR)-2,6,7-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a][1,4]diazepine has a molecular weight of 197.33 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,10aR)-2,6,7-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a][1,4]diazepine is sourced from PubChem (CID 177261861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).