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

C14H22N6O — CID 118740465

IUPACpyrrolidin-1-yl-(3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(N1CCCC1)N1CCn2c(nnc2C2CCCN2)C1
InChIInChI=1S/C14H22N6O/c21-14(18-6-1-2-7-18)19-8-9-20-12(10-19)16-17-13(20)11-4-3-5-15-11/h11,15H,1-10H2
InChIKeyCOPRDCUTZYFXHZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.73
Rot. Bonds1

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

pyrrolidin-1-yl-(3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 118740465) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is pyrrolidin-1-yl-(3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-(3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID118740465
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Namepyrrolidin-1-yl-(3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(N1CCCC1)N1CCn2c(nnc2C2CCCN2)C1
InChIInChI=1S/C14H22N6O/c21-14(18-6-1-2-7-18)19-8-9-20-12(10-19)16-17-13(20)11-4-3-5-15-11/h11,15H,1-10H2
InChIKeyCOPRDCUTZYFXHZ-UHFFFAOYSA-N
XLogP0.73
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-(3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of pyrrolidin-1-yl-(3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 118740465) is pyrrolidin-1-yl-(3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl-(3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl-(3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is O=C(N1CCCC1)N1CCn2c(nnc2C2CCCN2)C1.
What is the InChIKey of pyrrolidin-1-yl-(3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is COPRDCUTZYFXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c21-14(18-6-1-2-7-18)19-8-9-20-12(10-19)16-17-13(20)11-4-3-5-15-11/h11,15H,1-10H2.
What are the key properties of pyrrolidin-1-yl-(3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
pyrrolidin-1-yl-(3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 290.37 g/mol, XLogP of 0.73, 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-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 118740465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).