(2S)-2-amino-3-hydroxy-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one

C11H19N5O3 — CID 164690039

IUPAC(2S)-2-amino-3-hydroxy-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
SMILESCOCc1nnc2n1[C@@H](C)CN(C(=O)[C@@H](N)CO)C2
InChIInChI=1S/C11H19N5O3/c1-7-3-15(11(18)8(12)5-17)4-9-13-14-10(6-19-2)16(7)9/h7-8,17H,3-6,12H2,1-2H3/t7-,8-/m0/s1
InChIKeyGHQSZUSGRSJHSH-YUMQZZPRSA-N
MW269.31 g/mol
LogP-1.35
Rot. Bonds4

About (2S)-2-amino-3-hydroxy-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one

(2S)-2-amino-3-hydroxy-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one (PubChem CID 164690039) has the molecular formula C11H19N5O3 and a molecular weight of 269.31 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
PubChem CID164690039
Molecular FormulaC11H19N5O3
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC Name(2S)-2-amino-3-hydroxy-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
SMILESCOCc1nnc2n1[C@@H](C)CN(C(=O)[C@@H](N)CO)C2
InChIInChI=1S/C11H19N5O3/c1-7-3-15(11(18)8(12)5-17)4-9-13-14-10(6-19-2)16(7)9/h7-8,17H,3-6,12H2,1-2H3/t7-,8-/m0/s1
InChIKeyGHQSZUSGRSJHSH-YUMQZZPRSA-N
XLogP-1.35
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-3-hydroxy-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one (CID 164690039) is (2S)-2-amino-3-hydroxy-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-3-hydroxy-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one is COCc1nnc2n1[C@@H](C)CN(C(=O)[C@@H](N)CO)C2.
What is the InChIKey of (2S)-2-amino-3-hydroxy-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one?
The InChIKey is GHQSZUSGRSJHSH-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-7-3-15(11(18)8(12)5-17)4-9-13-14-10(6-19-2)16(7)9/h7-8,17H,3-6,12H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one?
(2S)-2-amino-3-hydroxy-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one has a molecular weight of 269.31 g/mol, XLogP of -1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 164690039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).