[3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-2-methylmorpholin-2-yl]methanone

C12H19N5O3 — CID 124993329

IUPAC[3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-2-methylmorpholin-2-yl]methanone
SMILESC[C@@]1(C(=O)N2CCn3c(CO)nnc3C2)CNCCO1
InChIInChI=1S/C12H19N5O3/c1-12(8-13-2-5-20-12)11(19)16-3-4-17-9(6-16)14-15-10(17)7-18/h13,18H,2-8H2,1H3/t12-/m0/s1
InChIKeyPWUZXWQEDBNZFM-LBPRGKRZSA-N
MW281.32 g/mol
LogP-1.51
Rot. Bonds2

About [3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-2-methylmorpholin-2-yl]methanone

[3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-2-methylmorpholin-2-yl]methanone (PubChem CID 124993329) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is [3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-2-methylmorpholin-2-yl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-2-methylmorpholin-2-yl]methanone
PubChem CID124993329
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name[3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-2-methylmorpholin-2-yl]methanone
SMILESC[C@@]1(C(=O)N2CCn3c(CO)nnc3C2)CNCCO1
InChIInChI=1S/C12H19N5O3/c1-12(8-13-2-5-20-12)11(19)16-3-4-17-9(6-16)14-15-10(17)7-18/h13,18H,2-8H2,1H3/t12-/m0/s1
InChIKeyPWUZXWQEDBNZFM-LBPRGKRZSA-N
XLogP-1.51
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-2-methylmorpholin-2-yl]methanone?
The IUPAC name of [3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-2-methylmorpholin-2-yl]methanone (CID 124993329) is [3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-2-methylmorpholin-2-yl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-2-methylmorpholin-2-yl]methanone?
The canonical SMILES for [3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-2-methylmorpholin-2-yl]methanone is C[C@@]1(C(=O)N2CCn3c(CO)nnc3C2)CNCCO1.
What is the InChIKey of [3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-2-methylmorpholin-2-yl]methanone?
The InChIKey is PWUZXWQEDBNZFM-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-12(8-13-2-5-20-12)11(19)16-3-4-17-9(6-16)14-15-10(17)7-18/h13,18H,2-8H2,1H3/t12-/m0/s1.
What are the key properties of [3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-2-methylmorpholin-2-yl]methanone?
[3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-2-methylmorpholin-2-yl]methanone has a molecular weight of 281.32 g/mol, XLogP of -1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-2-methylmorpholin-2-yl]methanone is sourced from PubChem (CID 124993329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).