(9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine

C15H25N3O — CID 99930669

IUPAC(9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
SMILESCCc1ccc(CN2CCN3CCN(C)C[C@@H]3C2)o1
InChIInChI=1S/C15H25N3O/c1-3-14-4-5-15(19-14)12-17-7-9-18-8-6-16(2)10-13(18)11-17/h4-5,13H,3,6-12H2,1-2H3/t13-/m1/s1
InChIKeyYATWVNYXCRJWIU-CYBMUJFWSA-N
MW263.38 g/mol
LogP1.27
Rot. Bonds3

About (9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine

(9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (PubChem CID 99930669) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine.

Molecular Properties

Compound Name(9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
PubChem CID99930669
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
SMILESCCc1ccc(CN2CCN3CCN(C)C[C@@H]3C2)o1
InChIInChI=1S/C15H25N3O/c1-3-14-4-5-15(19-14)12-17-7-9-18-8-6-16(2)10-13(18)11-17/h4-5,13H,3,6-12H2,1-2H3/t13-/m1/s1
InChIKeyYATWVNYXCRJWIU-CYBMUJFWSA-N
XLogP1.27
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine with MolForge

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Launch Full Analysis

Related Compounds

(9aS)-2-[(5-ethylfuran-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
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(9aR)-2-[(2-ethylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 99951289
[1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine
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CID 77097347
1-[(5-ethylfuran-2-yl)methyl]piperazine
CID 62346737
4-[[(3R)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methyl]morpholine
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[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-yl]methanol
CID 112548808
(9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 124814478
[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
CID 63167064
3-[4-[[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]phenyl]prop-2-yn-1-ol
CID 95137387

Frequently Asked Questions

What is the IUPAC name of (9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The IUPAC name of (9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (CID 99930669) is (9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine.
What is the SMILES notation for (9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The canonical SMILES for (9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine is CCc1ccc(CN2CCN3CCN(C)C[C@@H]3C2)o1.
What is the InChIKey of (9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The InChIKey is YATWVNYXCRJWIU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-14-4-5-15(19-14)12-17-7-9-18-8-6-16(2)10-13(18)11-17/h4-5,13H,3,6-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
(9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine has a molecular weight of 263.38 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine is sourced from PubChem (CID 99930669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).