6-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one

C15H25N3O — CID 54869090

IUPAC6-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one
SMILESCc1ccc2n1CCN(C(=O)CCCCCN)C2C
InChIInChI=1S/C15H25N3O/c1-12-7-8-14-13(2)18(11-10-17(12)14)15(19)6-4-3-5-9-16/h7-8,13H,3-6,9-11,16H2,1-2H3
InChIKeyJHQGDPOXJRVRCP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.22
Rot. Bonds5

About 6-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one

6-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one (PubChem CID 54869090) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one
PubChem CID54869090
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name6-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one
SMILESCc1ccc2n1CCN(C(=O)CCCCCN)C2C
InChIInChI=1S/C15H25N3O/c1-12-7-8-14-13(2)18(11-10-17(12)14)15(19)6-4-3-5-9-16/h7-8,13H,3-6,9-11,16H2,1-2H3
InChIKeyJHQGDPOXJRVRCP-UHFFFAOYSA-N
XLogP2.22
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one?
The IUPAC name of 6-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one (CID 54869090) is 6-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one.
What is the SMILES notation for 6-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one?
The canonical SMILES for 6-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one is Cc1ccc2n1CCN(C(=O)CCCCCN)C2C.
What is the InChIKey of 6-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one?
The InChIKey is JHQGDPOXJRVRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-7-8-14-13(2)18(11-10-17(12)14)15(19)6-4-3-5-9-16/h7-8,13H,3-6,9-11,16H2,1-2H3.
What are the key properties of 6-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one?
6-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one is sourced from PubChem (CID 54869090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).