7-acetyl-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C12H16N4O2 — CID 134790322

IUPAC7-acetyl-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cn2c(n1)CN(C(C)=O)CC2
InChIInChI=1S/C12H16N4O2/c1-3-4-13-12(18)10-7-16-6-5-15(9(2)17)8-11(16)14-10/h3,7H,1,4-6,8H2,2H3,(H,13,18)
InChIKeyQWGUBGUZUYMGAX-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.16
Rot. Bonds3

About 7-acetyl-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

7-acetyl-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 134790322) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 7-acetyl-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name7-acetyl-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID134790322
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name7-acetyl-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cn2c(n1)CN(C(C)=O)CC2
InChIInChI=1S/C12H16N4O2/c1-3-4-13-12(18)10-7-16-6-5-15(9(2)17)8-11(16)14-10/h3,7H,1,4-6,8H2,2H3,(H,13,18)
InChIKeyQWGUBGUZUYMGAX-UHFFFAOYSA-N
XLogP0.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.16
H-Bond Donors ≤ 51
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 7-acetyl-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 7-acetyl-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 134790322) is 7-acetyl-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 7-acetyl-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 7-acetyl-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is C=CCNC(=O)c1cn2c(n1)CN(C(C)=O)CC2.
What is the InChIKey of 7-acetyl-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is QWGUBGUZUYMGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-3-4-13-12(18)10-7-16-6-5-15(9(2)17)8-11(16)14-10/h3,7H,1,4-6,8H2,2H3,(H,13,18).
What are the key properties of 7-acetyl-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
7-acetyl-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 134790322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).