N-(4-imidazo[1,2-a]pyrazin-3-ylbut-3-enyl)acetamide

C12H14N4O — CID 170488830

IUPACN-(4-imidazo[1,2-a]pyrazin-3-ylbut-3-enyl)acetamide
SMILESCC(=O)NCCC=Cc1cnc2cnccn12
InChIInChI=1S/C12H14N4O/c1-10(17)14-5-3-2-4-11-8-15-12-9-13-6-7-16(11)12/h2,4,6-9H,3,5H2,1H3,(H,14,17)
InChIKeyROZDRAZJEGGTJH-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.27
Rot. Bonds4

About N-(4-imidazo[1,2-a]pyrazin-3-ylbut-3-enyl)acetamide

N-(4-imidazo[1,2-a]pyrazin-3-ylbut-3-enyl)acetamide (PubChem CID 170488830) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyrazin-3-ylbut-3-enyl)acetamide.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyrazin-3-ylbut-3-enyl)acetamide
PubChem CID170488830
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(4-imidazo[1,2-a]pyrazin-3-ylbut-3-enyl)acetamide
SMILESCC(=O)NCCC=Cc1cnc2cnccn12
InChIInChI=1S/C12H14N4O/c1-10(17)14-5-3-2-4-11-8-15-12-9-13-6-7-16(11)12/h2,4,6-9H,3,5H2,1H3,(H,14,17)
InChIKeyROZDRAZJEGGTJH-UHFFFAOYSA-N
XLogP1.27
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyrazin-3-ylbut-3-enyl)acetamide?
The IUPAC name of N-(4-imidazo[1,2-a]pyrazin-3-ylbut-3-enyl)acetamide (CID 170488830) is N-(4-imidazo[1,2-a]pyrazin-3-ylbut-3-enyl)acetamide.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyrazin-3-ylbut-3-enyl)acetamide?
The canonical SMILES for N-(4-imidazo[1,2-a]pyrazin-3-ylbut-3-enyl)acetamide is CC(=O)NCCC=Cc1cnc2cnccn12.
What is the InChIKey of N-(4-imidazo[1,2-a]pyrazin-3-ylbut-3-enyl)acetamide?
The InChIKey is ROZDRAZJEGGTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-10(17)14-5-3-2-4-11-8-15-12-9-13-6-7-16(11)12/h2,4,6-9H,3,5H2,1H3,(H,14,17).
What are the key properties of N-(4-imidazo[1,2-a]pyrazin-3-ylbut-3-enyl)acetamide?
N-(4-imidazo[1,2-a]pyrazin-3-ylbut-3-enyl)acetamide has a molecular weight of 230.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyrazin-3-ylbut-3-enyl)acetamide is sourced from PubChem (CID 170488830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).