[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone

C13H21N5O — CID 124752545

IUPAC[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCN3CCN(C)C[C@H]3C2)[nH]1
InChIInChI=1S/C13H21N5O/c1-10-7-14-12(15-10)13(19)18-6-5-17-4-3-16(2)8-11(17)9-18/h7,11H,3-6,8-9H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyJVXFKNRVNLTGBG-NSHDSACASA-N
MW263.34 g/mol
LogP-0.21
Rot. Bonds1

About [(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone

[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone (PubChem CID 124752545) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is [(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone
PubChem CID124752545
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCN3CCN(C)C[C@H]3C2)[nH]1
InChIInChI=1S/C13H21N5O/c1-10-7-14-12(15-10)13(19)18-6-5-17-4-3-16(2)8-11(17)9-18/h7,11H,3-6,8-9H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyJVXFKNRVNLTGBG-NSHDSACASA-N
XLogP-0.21
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The IUPAC name of [(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone (CID 124752545) is [(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone.
What is the SMILES notation for [(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The canonical SMILES for [(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone is Cc1cnc(C(=O)N2CCN3CCN(C)C[C@H]3C2)[nH]1.
What is the InChIKey of [(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The InChIKey is JVXFKNRVNLTGBG-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N5O/c1-10-7-14-12(15-10)13(19)18-6-5-17-4-3-16(2)8-11(17)9-18/h7,11H,3-6,8-9H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of [(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone is sourced from PubChem (CID 124752545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).