2-but-3-en-2-yl-7-[(3-methyloxetan-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C15H23N3O — CID 154662631

IUPAC2-but-3-en-2-yl-7-[(3-methyloxetan-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESC=CC(C)c1cn2c(n1)CN(CC1(C)COC1)CC2
InChIInChI=1S/C15H23N3O/c1-4-12(2)13-7-18-6-5-17(8-14(18)16-13)9-15(3)10-19-11-15/h4,7,12H,1,5-6,8-11H2,2-3H3
InChIKeyJPHNPTBMRVOTAY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.02
Rot. Bonds4

About 2-but-3-en-2-yl-7-[(3-methyloxetan-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

2-but-3-en-2-yl-7-[(3-methyloxetan-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 154662631) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-but-3-en-2-yl-7-[(3-methyloxetan-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-but-3-en-2-yl-7-[(3-methyloxetan-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID154662631
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-but-3-en-2-yl-7-[(3-methyloxetan-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESC=CC(C)c1cn2c(n1)CN(CC1(C)COC1)CC2
InChIInChI=1S/C15H23N3O/c1-4-12(2)13-7-18-6-5-17(8-14(18)16-13)9-15(3)10-19-11-15/h4,7,12H,1,5-6,8-11H2,2-3H3
InChIKeyJPHNPTBMRVOTAY-UHFFFAOYSA-N
XLogP2.02
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yl-7-[(3-methyloxetan-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 2-but-3-en-2-yl-7-[(3-methyloxetan-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 154662631) is 2-but-3-en-2-yl-7-[(3-methyloxetan-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-but-3-en-2-yl-7-[(3-methyloxetan-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-but-3-en-2-yl-7-[(3-methyloxetan-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is C=CC(C)c1cn2c(n1)CN(CC1(C)COC1)CC2.
What is the InChIKey of 2-but-3-en-2-yl-7-[(3-methyloxetan-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is JPHNPTBMRVOTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-12(2)13-7-18-6-5-17(8-14(18)16-13)9-15(3)10-19-11-15/h4,7,12H,1,5-6,8-11H2,2-3H3.
What are the key properties of 2-but-3-en-2-yl-7-[(3-methyloxetan-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
2-but-3-en-2-yl-7-[(3-methyloxetan-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 261.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yl-7-[(3-methyloxetan-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 154662631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).