1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine

C15H19ClN4 — CID 81166753

IUPAC1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCn3ccnc3C2)c(Cl)c1
InChIInChI=1S/C15H19ClN4/c1-11(17)8-12-2-3-14(13(16)9-12)20-7-6-19-5-4-18-15(19)10-20/h2-5,9,11H,6-8,10,17H2,1H3
InChIKeyCJLLPGKEQKZONZ-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.45
Rot. Bonds3

About 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine

1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine (PubChem CID 81166753) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine
PubChem CID81166753
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCn3ccnc3C2)c(Cl)c1
InChIInChI=1S/C15H19ClN4/c1-11(17)8-12-2-3-14(13(16)9-12)20-7-6-19-5-4-18-15(19)10-20/h2-5,9,11H,6-8,10,17H2,1H3
InChIKeyCJLLPGKEQKZONZ-UHFFFAOYSA-N
XLogP2.45
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol
CID 55149781
1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorophenyl]ethanamine
CID 63014492
1-[3-chloro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]propan-2-amine
CID 81159332
7-[2-(bromomethyl)-4-chlorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 107083183
1-[2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]-N-methylmethanamine
CID 63024711
1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine
CID 81165760
N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine
CID 63026595
N-[[2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]propan-1-amine
CID 63026253
(1R)-1-[3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol
CID 63371929
1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 81165910
1-[6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63793480
1-(2-chlorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine
CID 63013537

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine (CID 81166753) is 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine is CC(N)Cc1ccc(N2CCn3ccnc3C2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine?
The InChIKey is CJLLPGKEQKZONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-11(17)8-12-2-3-14(13(16)9-12)20-7-6-19-5-4-18-15(19)10-20/h2-5,9,11H,6-8,10,17H2,1H3.
What are the key properties of 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine?
1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine has a molecular weight of 290.80 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine is sourced from PubChem (CID 81166753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).