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

C15H13ClN6O — CID 97221908

IUPAC(3S)-1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one
SMILESO=C1[C@@H](Nc2nccn3cnnc23)CCN1c1cccc(Cl)c1
InChIInChI=1S/C15H13ClN6O/c16-10-2-1-3-11(8-10)22-6-4-12(15(22)23)19-13-14-20-18-9-21(14)7-5-17-13/h1-3,5,7-9,12H,4,6H2,(H,17,19)/t12-/m0/s1
InChIKeyAZFMOWIOUIOXDG-LBPRGKRZSA-N
MW328.76 g/mol
LogP2.00
Rot. Bonds3

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

(3S)-1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one (PubChem CID 97221908) has the molecular formula C15H13ClN6O and a molecular weight of 328.76 g/mol. Its IUPAC name is (3S)-1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one
PubChem CID97221908
Molecular FormulaC15H13ClN6O
Molecular Weight328.76 g/mol
Exact Mass328.08
IUPAC Name(3S)-1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one
SMILESO=C1[C@@H](Nc2nccn3cnnc23)CCN1c1cccc(Cl)c1
InChIInChI=1S/C15H13ClN6O/c16-10-2-1-3-11(8-10)22-6-4-12(15(22)23)19-13-14-20-18-9-21(14)7-5-17-13/h1-3,5,7-9,12H,4,6H2,(H,17,19)/t12-/m0/s1
InChIKeyAZFMOWIOUIOXDG-LBPRGKRZSA-N
XLogP2.00
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one
CID 97218828
(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133338455
1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133338513
N-[(5S)-9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 124881783
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide
CID 133338471
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120551475
5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 97011173
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)anilino]pyrrolidin-2-one
CID 111824444
3-[(4-amino-5-nitropyrimidin-2-yl)amino]-1-(3-chlorophenyl)pyrrolidin-2-one
CID 133338488
1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one
CID 126790945
N-[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
CID 97235838

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one?
The IUPAC name of (3S)-1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one (CID 97221908) is (3S)-1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one?
The canonical SMILES for (3S)-1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one is O=C1[C@@H](Nc2nccn3cnnc23)CCN1c1cccc(Cl)c1.
What is the InChIKey of (3S)-1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one?
The InChIKey is AZFMOWIOUIOXDG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H13ClN6O/c16-10-2-1-3-11(8-10)22-6-4-12(15(22)23)19-13-14-20-18-9-21(14)7-5-17-13/h1-3,5,7-9,12H,4,6H2,(H,17,19)/t12-/m0/s1.
What are the key properties of (3S)-1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one?
(3S)-1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one has a molecular weight of 328.76 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 97221908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).