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

C15H25N3O — CID 62852555

IUPAC1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)N1CCn2c(C)ccc2C1C
InChIInChI=1S/C15H25N3O/c1-5-16-10-11(2)15(19)18-9-8-17-12(3)6-7-14(17)13(18)4/h6-7,11,13,16H,5,8-10H2,1-4H3
InChIKeyLMKOZRBQJGESGB-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.95
Rot. Bonds4

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

1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)-2-methylpropan-1-one (PubChem CID 62852555) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)-2-methylpropan-1-one
PubChem CID62852555
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)N1CCn2c(C)ccc2C1C
InChIInChI=1S/C15H25N3O/c1-5-16-10-11(2)15(19)18-9-8-17-12(3)6-7-14(17)13(18)4/h6-7,11,13,16H,5,8-10H2,1-4H3
InChIKeyLMKOZRBQJGESGB-UHFFFAOYSA-N
XLogP1.95
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)-2-methylpropan-1-one (CID 62852555) is 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)-2-methylpropan-1-one is CCNCC(C)C(=O)N1CCn2c(C)ccc2C1C.
What is the InChIKey of 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)-2-methylpropan-1-one?
The InChIKey is LMKOZRBQJGESGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-16-10-11(2)15(19)18-9-8-17-12(3)6-7-14(17)13(18)4/h6-7,11,13,16H,5,8-10H2,1-4H3.
What are the key properties of 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)-2-methylpropan-1-one?
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)-2-methylpropan-1-one has a molecular weight of 263.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 62852555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).