1-imidazo[1,2-a]pyrazin-2-yl-4-piperazin-1-ylbutane-1,4-dione

C14H17N5O2 — CID 91345940

IUPAC1-imidazo[1,2-a]pyrazin-2-yl-4-piperazin-1-ylbutane-1,4-dione
SMILESO=C(CCC(=O)N1CCNCC1)c1cn2ccncc2n1
InChIInChI=1S/C14H17N5O2/c20-12(1-2-14(21)18-6-3-15-4-7-18)11-10-19-8-5-16-9-13(19)17-11/h5,8-10,15H,1-4,6-7H2
InChIKeyMDXUDXRPXMZCOP-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.12
Rot. Bonds4

About 1-imidazo[1,2-a]pyrazin-2-yl-4-piperazin-1-ylbutane-1,4-dione

1-imidazo[1,2-a]pyrazin-2-yl-4-piperazin-1-ylbutane-1,4-dione (PubChem CID 91345940) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyrazin-2-yl-4-piperazin-1-ylbutane-1,4-dione.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyrazin-2-yl-4-piperazin-1-ylbutane-1,4-dione
PubChem CID91345940
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-imidazo[1,2-a]pyrazin-2-yl-4-piperazin-1-ylbutane-1,4-dione
SMILESO=C(CCC(=O)N1CCNCC1)c1cn2ccncc2n1
InChIInChI=1S/C14H17N5O2/c20-12(1-2-14(21)18-6-3-15-4-7-18)11-10-19-8-5-16-9-13(19)17-11/h5,8-10,15H,1-4,6-7H2
InChIKeyMDXUDXRPXMZCOP-UHFFFAOYSA-N
XLogP0.12
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyrazin-2-yl-4-piperazin-1-ylbutane-1,4-dione?
The IUPAC name of 1-imidazo[1,2-a]pyrazin-2-yl-4-piperazin-1-ylbutane-1,4-dione (CID 91345940) is 1-imidazo[1,2-a]pyrazin-2-yl-4-piperazin-1-ylbutane-1,4-dione.
What is the SMILES notation for 1-imidazo[1,2-a]pyrazin-2-yl-4-piperazin-1-ylbutane-1,4-dione?
The canonical SMILES for 1-imidazo[1,2-a]pyrazin-2-yl-4-piperazin-1-ylbutane-1,4-dione is O=C(CCC(=O)N1CCNCC1)c1cn2ccncc2n1.
What is the InChIKey of 1-imidazo[1,2-a]pyrazin-2-yl-4-piperazin-1-ylbutane-1,4-dione?
The InChIKey is MDXUDXRPXMZCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-12(1-2-14(21)18-6-3-15-4-7-18)11-10-19-8-5-16-9-13(19)17-11/h5,8-10,15H,1-4,6-7H2.
What are the key properties of 1-imidazo[1,2-a]pyrazin-2-yl-4-piperazin-1-ylbutane-1,4-dione?
1-imidazo[1,2-a]pyrazin-2-yl-4-piperazin-1-ylbutane-1,4-dione has a molecular weight of 287.32 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyrazin-2-yl-4-piperazin-1-ylbutane-1,4-dione is sourced from PubChem (CID 91345940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).