piperidin-1-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]methanone

C15H24N6O — CID 118740592

IUPACpiperidin-1-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCCCC1)N1CCCC1c1nnc2n1CCNC2
InChIInChI=1S/C15H24N6O/c22-15(19-7-2-1-3-8-19)20-9-4-5-12(20)14-18-17-13-11-16-6-10-21(13)14/h12,16H,1-11H2
InChIKeyVGJZTKXGBGQTEI-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.12
Rot. Bonds1

About piperidin-1-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]methanone

piperidin-1-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 118740592) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is piperidin-1-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]methanone
PubChem CID118740592
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Namepiperidin-1-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCCCC1)N1CCCC1c1nnc2n1CCNC2
InChIInChI=1S/C15H24N6O/c22-15(19-7-2-1-3-8-19)20-9-4-5-12(20)14-18-17-13-11-16-6-10-21(13)14/h12,16H,1-11H2
InChIKeyVGJZTKXGBGQTEI-UHFFFAOYSA-N
XLogP1.12
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of piperidin-1-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]methanone (CID 118740592) is piperidin-1-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for piperidin-1-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]methanone is O=C(N1CCCCC1)N1CCCC1c1nnc2n1CCNC2.
What is the InChIKey of piperidin-1-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is VGJZTKXGBGQTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c22-15(19-7-2-1-3-8-19)20-9-4-5-12(20)14-18-17-13-11-16-6-10-21(13)14/h12,16H,1-11H2.
What are the key properties of piperidin-1-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]methanone?
piperidin-1-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 304.40 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118740592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).