6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)hexan-1-ol

C16H30N4O — CID 64791485

IUPAC6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN1CCn2ccnc2C1
InChIInChI=1S/C16H30N4O/c1-3-7-18-16(2,14-21)6-4-5-9-19-11-12-20-10-8-17-15(20)13-19/h8,10,18,21H,3-7,9,11-14H2,1-2H3
InChIKeySDPOMYUYMMTQGU-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.62
Rot. Bonds9

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

6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)hexan-1-ol (PubChem CID 64791485) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)hexan-1-ol
PubChem CID64791485
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN1CCn2ccnc2C1
InChIInChI=1S/C16H30N4O/c1-3-7-18-16(2,14-21)6-4-5-9-19-11-12-20-10-8-17-15(20)13-19/h8,10,18,21H,3-7,9,11-14H2,1-2H3
InChIKeySDPOMYUYMMTQGU-UHFFFAOYSA-N
XLogP1.62
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.62
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-methyl-2-(propylamino)hexan-1-ol?
The IUPAC name of 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)hexan-1-ol (CID 64791485) is 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The canonical SMILES for 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)hexan-1-ol is CCCNC(C)(CO)CCCCN1CCn2ccnc2C1.
What is the InChIKey of 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The InChIKey is SDPOMYUYMMTQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-3-7-18-16(2,14-21)6-4-5-9-19-11-12-20-10-8-17-15(20)13-19/h8,10,18,21H,3-7,9,11-14H2,1-2H3.
What are the key properties of 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)hexan-1-ol?
6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)hexan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 1.62, 9 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-methyl-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 64791485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).