N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine

C15H22N4S — CID 107556729

IUPACN-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCn3ccnc3C2)s1
InChIInChI=1S/C15H22N4S/c1-2-5-16-10-13-3-4-14(20-13)11-18-8-9-19-7-6-17-15(19)12-18/h3-4,6-7,16H,2,5,8-12H2,1H3
InChIKeyGIWKTHBJVBMMPS-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.46
Rot. Bonds6

About N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine

N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107556729) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID107556729
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCn3ccnc3C2)s1
InChIInChI=1S/C15H22N4S/c1-2-5-16-10-13-3-4-14(20-13)11-18-8-9-19-7-6-17-15(19)12-18/h3-4,6-7,16H,2,5,8-12H2,1H3
InChIKeyGIWKTHBJVBMMPS-UHFFFAOYSA-N
XLogP2.46
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine (CID 107556729) is N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(CN2CCn3ccnc3C2)s1.
What is the InChIKey of N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is GIWKTHBJVBMMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-2-5-16-10-13-3-4-14(20-13)11-18-8-9-19-7-6-17-15(19)12-18/h3-4,6-7,16H,2,5,8-12H2,1H3.
What are the key properties of N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine?
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 290.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107556729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).