[1-(2-aminoethyl)imidazol-4-yl]-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

C15H21N5O — CID 107496866

IUPAC[1-(2-aminoethyl)imidazol-4-yl]-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCc1ccc2n1CCN(C(=O)c1cn(CCN)cn1)C2C
InChIInChI=1S/C15H21N5O/c1-11-3-4-14-12(2)20(8-7-19(11)14)15(21)13-9-18(6-5-16)10-17-13/h3-4,9-10,12H,5-8,16H2,1-2H3
InChIKeyVNDPVWNQIDEXIS-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.17
Rot. Bonds3

About [1-(2-aminoethyl)imidazol-4-yl]-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

[1-(2-aminoethyl)imidazol-4-yl]-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (PubChem CID 107496866) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is [1-(2-aminoethyl)imidazol-4-yl]-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)imidazol-4-yl]-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
PubChem CID107496866
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name[1-(2-aminoethyl)imidazol-4-yl]-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCc1ccc2n1CCN(C(=O)c1cn(CCN)cn1)C2C
InChIInChI=1S/C15H21N5O/c1-11-3-4-14-12(2)20(8-7-19(11)14)15(21)13-9-18(6-5-16)10-17-13/h3-4,9-10,12H,5-8,16H2,1-2H3
InChIKeyVNDPVWNQIDEXIS-UHFFFAOYSA-N
XLogP1.17
TPSA69.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (CID 107496866) is [1-(2-aminoethyl)imidazol-4-yl]-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for [1-(2-aminoethyl)imidazol-4-yl]-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for [1-(2-aminoethyl)imidazol-4-yl]-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is Cc1ccc2n1CCN(C(=O)c1cn(CCN)cn1)C2C.
What is the InChIKey of [1-(2-aminoethyl)imidazol-4-yl]-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is VNDPVWNQIDEXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-3-4-14-12(2)20(8-7-19(11)14)15(21)13-9-18(6-5-16)10-17-13/h3-4,9-10,12H,5-8,16H2,1-2H3.
What are the key properties of [1-(2-aminoethyl)imidazol-4-yl]-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
[1-(2-aminoethyl)imidazol-4-yl]-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 287.37 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)imidazol-4-yl]-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 107496866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).