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

C15H24N6O — CID 134788940

IUPACpyrrolidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCCC1)N1CCCC(c2nnc3n2CCNC3)C1
InChIInChI=1S/C15H24N6O/c22-15(19-6-1-2-7-19)20-8-3-4-12(11-20)14-18-17-13-10-16-5-9-21(13)14/h12,16H,1-11H2
InChIKeyTWUXUZLWCYNSGE-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.78
Rot. Bonds1

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

pyrrolidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone (PubChem CID 134788940) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is pyrrolidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
PubChem CID134788940
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Namepyrrolidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCCC1)N1CCCC(c2nnc3n2CCNC3)C1
InChIInChI=1S/C15H24N6O/c22-15(19-6-1-2-7-19)20-8-3-4-12(11-20)14-18-17-13-10-16-5-9-21(13)14/h12,16H,1-11H2
InChIKeyTWUXUZLWCYNSGE-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 75443339
tert-Butyl 3-(piperidin-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
CID 110246156
pyrrolidin-1-yl-(3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 118740465
N-propan-2-yl-3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 118740466
N-cyclohexyl-3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 118740469
Sdccgsbi-0662590.P001
CID 118740478
N-propan-2-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 118740588
N-cyclohexyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide
CID 118740589
N-propan-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 118740591
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
Sdccgsbi-0662600.P001
CID 134789236
N-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 134791242

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone (CID 134788940) is pyrrolidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone is O=C(N1CCCC1)N1CCCC(c2nnc3n2CCNC3)C1.
What is the InChIKey of pyrrolidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
The InChIKey is TWUXUZLWCYNSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c22-15(19-6-1-2-7-19)20-8-3-4-12(11-20)14-18-17-13-10-16-5-9-21(13)14/h12,16H,1-11H2.
What are the key properties of pyrrolidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
pyrrolidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone has a molecular weight of 304.40 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 134788940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).