6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine

C15H24N6 — CID 79283386

IUPAC6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(C3CCN4CCCCC34)c21
InChIInChI=1S/C15H24N6/c1-3-20-14-13(10(2)18-20)17-15(16)21(14)12-7-9-19-8-5-4-6-11(12)19/h11-12H,3-9H2,1-2H3,(H2,16,17)
InChIKeyYPTHXDYXGACQOE-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.94
Rot. Bonds2

About 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine

6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79283386) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79283386
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(C3CCN4CCCCC34)c21
InChIInChI=1S/C15H24N6/c1-3-20-14-13(10(2)18-20)17-15(16)21(14)12-7-9-19-8-5-4-6-11(12)19/h11-12H,3-9H2,1-2H3,(H2,16,17)
InChIKeyYPTHXDYXGACQOE-UHFFFAOYSA-N
XLogP1.94
TPSA64.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (CID 79283386) is 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(C3CCN4CCCCC34)c21.
What is the InChIKey of 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is YPTHXDYXGACQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-3-20-14-13(10(2)18-20)17-15(16)21(14)12-7-9-19-8-5-4-6-11(12)19/h11-12H,3-9H2,1-2H3,(H2,16,17).
What are the key properties of 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 288.40 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79283386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).