furan-3-yl-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C17H23N5O3 — CID 110197728

IUPACfuran-3-yl-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCC(C)N1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)c1ccoc1)C2
InChIInChI=1S/C17H23N5O3/c1-11(2)22-8-13(23)7-14(22)16-19-18-15-9-20(4-5-21(15)16)17(24)12-3-6-25-10-12/h3,6,10-11,13-14,23H,4-5,7-9H2,1-2H3/t13-,14+/m1/s1
InChIKeyHMFXVAKMKWQYOS-KGLIPLIRSA-N
MW345.40 g/mol
LogP1.04
Rot. Bonds3

About furan-3-yl-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

furan-3-yl-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 110197728) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is furan-3-yl-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID110197728
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Namefuran-3-yl-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCC(C)N1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)c1ccoc1)C2
InChIInChI=1S/C17H23N5O3/c1-11(2)22-8-13(23)7-14(22)16-19-18-15-9-20(4-5-21(15)16)17(24)12-3-6-25-10-12/h3,6,10-11,13-14,23H,4-5,7-9H2,1-2H3/t13-,14+/m1/s1
InChIKeyHMFXVAKMKWQYOS-KGLIPLIRSA-N
XLogP1.04
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze furan-3-yl-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of furan-3-yl-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 110197728) is furan-3-yl-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for furan-3-yl-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for furan-3-yl-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is CC(C)N1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)c1ccoc1)C2.
What is the InChIKey of furan-3-yl-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is HMFXVAKMKWQYOS-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11(2)22-8-13(23)7-14(22)16-19-18-15-9-20(4-5-21(15)16)17(24)12-3-6-25-10-12/h3,6,10-11,13-14,23H,4-5,7-9H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of furan-3-yl-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
furan-3-yl-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 345.40 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 110197728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).