1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperazin-1-yl]prop-2-en-1-one

C13H15N5O — CID 118116127

IUPAC1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2cnc3[nH]ccc3n2)CC1
InChIInChI=1S/C13H15N5O/c1-2-12(19)18-7-5-17(6-8-18)11-9-15-13-10(16-11)3-4-14-13/h2-4,9H,1,5-8H2,(H,14,15)
InChIKeyDPZSJIQMOXNAQP-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.79
Rot. Bonds2

About 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperazin-1-yl]prop-2-en-1-one

1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 118116127) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperazin-1-yl]prop-2-en-1-one
PubChem CID118116127
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2cnc3[nH]ccc3n2)CC1
InChIInChI=1S/C13H15N5O/c1-2-12(19)18-7-5-17(6-8-18)11-9-15-13-10(16-11)3-4-14-13/h2-4,9H,1,5-8H2,(H,14,15)
InChIKeyDPZSJIQMOXNAQP-UHFFFAOYSA-N
XLogP0.79
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperazin-1-yl]prop-2-en-1-one (CID 118116127) is 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2cnc3[nH]ccc3n2)CC1.
What is the InChIKey of 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is DPZSJIQMOXNAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-2-12(19)18-7-5-17(6-8-18)11-9-15-13-10(16-11)3-4-14-13/h2-4,9H,1,5-8H2,(H,14,15).
What are the key properties of 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperazin-1-yl]prop-2-en-1-one?
1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 257.30 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 118116127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).