[4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone

C12H17N5O — CID 66203494

IUPAC[4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C12H17N5O/c18-12(11-9-13-1-2-15-11)17-5-3-16(4-6-17)10-7-14-8-10/h1-2,9-10,14H,3-8H2
InChIKeyCUPLBFFAGNIARQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.79
Rot. Bonds2

About [4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone

[4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 66203494) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is [4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
PubChem CID66203494
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name[4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C12H17N5O/c18-12(11-9-13-1-2-15-11)17-5-3-16(4-6-17)10-7-14-8-10/h1-2,9-10,14H,3-8H2
InChIKeyCUPLBFFAGNIARQ-UHFFFAOYSA-N
XLogP-0.79
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone (CID 66203494) is [4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCN(C2CNC2)CC1.
What is the InChIKey of [4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is CUPLBFFAGNIARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c18-12(11-9-13-1-2-15-11)17-5-3-16(4-6-17)10-7-14-8-10/h1-2,9-10,14H,3-8H2.
What are the key properties of [4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
[4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 247.30 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 66203494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).