5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C17H30N4O — CID 145201981

IUPAC5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCCN1CCC2OCCC2C1.CCN1CCn2ccnc2C1
InChIInChI=1S/C9H17NO.C8H13N3/c1-2-10-5-3-9-8(7-10)4-6-11-9;1-2-10-5-6-11-4-3-9-8(11)7-10/h8-9H,2-7H2,1H3;3-4H,2,5-7H2,1H3
InChIKeyZVLKLBCIWJMLJH-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.84
Rot. Bonds2

About 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 145201981) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID145201981
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCCN1CCC2OCCC2C1.CCN1CCn2ccnc2C1
InChIInChI=1S/C9H17NO.C8H13N3/c1-2-10-5-3-9-8(7-10)4-6-11-9;1-2-10-5-6-11-4-3-9-8(11)7-10/h8-9H,2-7H2,1H3;3-4H,2,5-7H2,1H3
InChIKeyZVLKLBCIWJMLJH-UHFFFAOYSA-N
XLogP1.84
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 145201981) is 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CCN1CCC2OCCC2C1.CCN1CCn2ccnc2C1.
What is the InChIKey of 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is ZVLKLBCIWJMLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C8H13N3/c1-2-10-5-3-9-8(7-10)4-6-11-9;1-2-10-5-6-11-4-3-9-8(11)7-10/h8-9H,2-7H2,1H3;3-4H,2,5-7H2,1H3.
What are the key properties of 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 306.45 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 145201981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).