7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C10H15N3 — CID 131232949

IUPAC7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESC/C=C/CN1CCn2ccnc2C1
InChIInChI=1S/C10H15N3/c1-2-3-5-12-7-8-13-6-4-11-10(13)9-12/h2-4,6H,5,7-9H2,1H3/b3-2+
InChIKeyNMPGMULMFSOIAR-NSCUHMNNSA-N
MW177.25 g/mol
LogP1.27
Rot. Bonds2

About 7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 131232949) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID131232949
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESC/C=C/CN1CCn2ccnc2C1
InChIInChI=1S/C10H15N3/c1-2-3-5-12-7-8-13-6-4-11-10(13)9-12/h2-4,6H,5,7-9H2,1H3/b3-2+
InChIKeyNMPGMULMFSOIAR-NSCUHMNNSA-N
XLogP1.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 131232949) is 7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is C/C=C/CN1CCn2ccnc2C1.
What is the InChIKey of 7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is NMPGMULMFSOIAR-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-3-5-12-7-8-13-6-4-11-10(13)9-12/h2-4,6H,5,7-9H2,1H3/b3-2+.
What are the key properties of 7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 177.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 131232949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).