[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C13H21N5O3 — CID 164696848

IUPAC[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOCc1nnc2n1[C@@H](C)CN(C(=O)[C@H]1C[C@@H](O)CN1)C2
InChIInChI=1S/C13H21N5O3/c1-8-5-17(13(20)10-3-9(19)4-14-10)6-11-15-16-12(7-21-2)18(8)11/h8-10,14,19H,3-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyZKGKHSGZKMGVFE-IVZWLZJFSA-N
MW295.34 g/mol
LogP-0.95
Rot. Bonds3

About [(2R,4R)-4-hydroxypyrrolidin-2-yl]-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 164696848) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is [(2R,4R)-4-hydroxypyrrolidin-2-yl]-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID164696848
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOCc1nnc2n1[C@@H](C)CN(C(=O)[C@H]1C[C@@H](O)CN1)C2
InChIInChI=1S/C13H21N5O3/c1-8-5-17(13(20)10-3-9(19)4-14-10)6-11-15-16-12(7-21-2)18(8)11/h8-10,14,19H,3-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyZKGKHSGZKMGVFE-IVZWLZJFSA-N
XLogP-0.95
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-hydroxypyrrolidin-2-yl]-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of [(2R,4R)-4-hydroxypyrrolidin-2-yl]-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 164696848) is [(2R,4R)-4-hydroxypyrrolidin-2-yl]-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [(2R,4R)-4-hydroxypyrrolidin-2-yl]-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for [(2R,4R)-4-hydroxypyrrolidin-2-yl]-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is COCc1nnc2n1[C@@H](C)CN(C(=O)[C@H]1C[C@@H](O)CN1)C2.
What is the InChIKey of [(2R,4R)-4-hydroxypyrrolidin-2-yl]-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is ZKGKHSGZKMGVFE-IVZWLZJFSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-8-5-17(13(20)10-3-9(19)4-14-10)6-11-15-16-12(7-21-2)18(8)11/h8-10,14,19H,3-7H2,1-2H3/t8-,9+,10+/m0/s1.
What are the key properties of [(2R,4R)-4-hydroxypyrrolidin-2-yl]-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 295.34 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-hydroxypyrrolidin-2-yl]-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164696848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).