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

C13H24N4O — CID 114357196

IUPAC3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-methylhexan-1-ol
SMILESCC(C)CC(N)C(CO)N1CCn2ccnc2C1
InChIInChI=1S/C13H24N4O/c1-10(2)7-11(14)12(9-18)17-6-5-16-4-3-15-13(16)8-17/h3-4,10-12,18H,5-9,14H2,1-2H3
InChIKeyDBBKIFSDCHRARG-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.43
Rot. Bonds5

About 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-methylhexan-1-ol

3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-methylhexan-1-ol (PubChem CID 114357196) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-methylhexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-methylhexan-1-ol
PubChem CID114357196
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-methylhexan-1-ol
SMILESCC(C)CC(N)C(CO)N1CCn2ccnc2C1
InChIInChI=1S/C13H24N4O/c1-10(2)7-11(14)12(9-18)17-6-5-16-4-3-15-13(16)8-17/h3-4,10-12,18H,5-9,14H2,1-2H3
InChIKeyDBBKIFSDCHRARG-UHFFFAOYSA-N
XLogP0.43
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-methylhexan-1-ol?
The IUPAC name of 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-methylhexan-1-ol (CID 114357196) is 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-methylhexan-1-ol.
What is the SMILES notation for 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-methylhexan-1-ol?
The canonical SMILES for 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-methylhexan-1-ol is CC(C)CC(N)C(CO)N1CCn2ccnc2C1.
What is the InChIKey of 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-methylhexan-1-ol?
The InChIKey is DBBKIFSDCHRARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)7-11(14)12(9-18)17-6-5-16-4-3-15-13(16)8-17/h3-4,10-12,18H,5-9,14H2,1-2H3.
What are the key properties of 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-methylhexan-1-ol?
3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-methylhexan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-methylhexan-1-ol is sourced from PubChem (CID 114357196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).