4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one

C9H10N6O — CID 105023273

IUPAC4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one
SMILESO=C1CC(Nc2nccn3cnnc23)CN1
InChIInChI=1S/C9H10N6O/c16-7-3-6(4-11-7)13-8-9-14-12-5-15(9)2-1-10-8/h1-2,5-6H,3-4H2,(H,10,13)(H,11,16)
InChIKeyUXNYCLSBKKFHMB-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.58
Rot. Bonds2

About 4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one

4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one (PubChem CID 105023273) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one
PubChem CID105023273
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one
SMILESO=C1CC(Nc2nccn3cnnc23)CN1
InChIInChI=1S/C9H10N6O/c16-7-3-6(4-11-7)13-8-9-14-12-5-15(9)2-1-10-8/h1-2,5-6H,3-4H2,(H,10,13)(H,11,16)
InChIKeyUXNYCLSBKKFHMB-UHFFFAOYSA-N
XLogP-0.58
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one?
The IUPAC name of 4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one (CID 105023273) is 4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one?
The canonical SMILES for 4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one is O=C1CC(Nc2nccn3cnnc23)CN1.
What is the InChIKey of 4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one?
The InChIKey is UXNYCLSBKKFHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O/c16-7-3-6(4-11-7)13-8-9-14-12-5-15(9)2-1-10-8/h1-2,5-6H,3-4H2,(H,10,13)(H,11,16).
What are the key properties of 4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one?
4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one has a molecular weight of 218.22 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 105023273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).