6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexan-1-ol

C15H28N4O — CID 64791484

IUPAC6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCN1CCn2ccnc2C1
InChIInChI=1S/C15H28N4O/c1-3-17-15(2,13-20)6-4-5-8-18-10-11-19-9-7-16-14(19)12-18/h7,9,17,20H,3-6,8,10-13H2,1-2H3
InChIKeyFIHLCFSCQWZWLT-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.23
Rot. Bonds8

About 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexan-1-ol

6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexan-1-ol (PubChem CID 64791484) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexan-1-ol.

Molecular Properties

Compound Name6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexan-1-ol
PubChem CID64791484
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCN1CCn2ccnc2C1
InChIInChI=1S/C15H28N4O/c1-3-17-15(2,13-20)6-4-5-8-18-10-11-19-9-7-16-14(19)12-18/h7,9,17,20H,3-6,8,10-13H2,1-2H3
InChIKeyFIHLCFSCQWZWLT-UHFFFAOYSA-N
XLogP1.23
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.23
H-Bond Donors ≤ 52
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 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexan-1-ol?
The IUPAC name of 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexan-1-ol (CID 64791484) is 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexan-1-ol.
What is the SMILES notation for 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexan-1-ol?
The canonical SMILES for 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexan-1-ol is CCNC(C)(CO)CCCCN1CCn2ccnc2C1.
What is the InChIKey of 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexan-1-ol?
The InChIKey is FIHLCFSCQWZWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-17-15(2,13-20)6-4-5-8-18-10-11-19-9-7-16-14(19)12-18/h7,9,17,20H,3-6,8,10-13H2,1-2H3.
What are the key properties of 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexan-1-ol?
6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexan-1-ol has a molecular weight of 280.42 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexan-1-ol is sourced from PubChem (CID 64791484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).