2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

C17H28N6O2 — CID 50974185

IUPAC2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESCc1nn(C)c(N2CCOCC2)c1CN1CCN2CCNC(=O)C2C1
InChIInChI=1S/C17H28N6O2/c1-13-14(17(20(2)19-13)23-7-9-25-10-8-23)11-21-5-6-22-4-3-18-16(24)15(22)12-21/h15H,3-12H2,1-2H3,(H,18,24)
InChIKeyRCFSPKUSLLFELM-UHFFFAOYSA-N
MW348.45 g/mol
LogP-0.82
Rot. Bonds3

About 2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (PubChem CID 50974185) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
PubChem CID50974185
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Name2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESCc1nn(C)c(N2CCOCC2)c1CN1CCN2CCNC(=O)C2C1
InChIInChI=1S/C17H28N6O2/c1-13-14(17(20(2)19-13)23-7-9-25-10-8-23)11-21-5-6-22-4-3-18-16(24)15(22)12-21/h15H,3-12H2,1-2H3,(H,18,24)
InChIKeyRCFSPKUSLLFELM-UHFFFAOYSA-N
XLogP-0.82
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (CID 50974185) is 2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is Cc1nn(C)c(N2CCOCC2)c1CN1CCN2CCNC(=O)C2C1.
What is the InChIKey of 2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The InChIKey is RCFSPKUSLLFELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-13-14(17(20(2)19-13)23-7-9-25-10-8-23)11-21-5-6-22-4-3-18-16(24)15(22)12-21/h15H,3-12H2,1-2H3,(H,18,24).
What are the key properties of 2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one has a molecular weight of 348.45 g/mol, XLogP of -0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 50974185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).