[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanamine

C13H20N4 — CID 164902446

IUPAC[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanamine
SMILESNCC12CC(CN3CCn4ccnc4C3)(C1)C2
InChIInChI=1S/C13H20N4/c14-9-12-6-13(7-12,8-12)10-16-3-4-17-2-1-15-11(17)5-16/h1-2H,3-10,14H2
InChIKeyLMGRITSOPFWBTD-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.83
Rot. Bonds3

About [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanamine

[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanamine (PubChem CID 164902446) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanamine.

Molecular Properties

Compound Name[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanamine
PubChem CID164902446
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanamine
SMILESNCC12CC(CN3CCn4ccnc4C3)(C1)C2
InChIInChI=1S/C13H20N4/c14-9-12-6-13(7-12,8-12)10-16-3-4-17-2-1-15-11(17)5-16/h1-2H,3-10,14H2
InChIKeyLMGRITSOPFWBTD-UHFFFAOYSA-N
XLogP0.83
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanamine?
The IUPAC name of [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanamine (CID 164902446) is [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanamine.
What is the SMILES notation for [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanamine?
The canonical SMILES for [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanamine is NCC12CC(CN3CCn4ccnc4C3)(C1)C2.
What is the InChIKey of [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanamine?
The InChIKey is LMGRITSOPFWBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c14-9-12-6-13(7-12,8-12)10-16-3-4-17-2-1-15-11(17)5-16/h1-2H,3-10,14H2.
What are the key properties of [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanamine?
[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanamine has a molecular weight of 232.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanamine is sourced from PubChem (CID 164902446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).