(5R)-5-methyl-3-(3-morpholin-4-ylpropyl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one

C16H27N5O2 — CID 163308048

IUPAC(5R)-5-methyl-3-(3-morpholin-4-ylpropyl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCCCN1Cc2nnc(CCCN3CCOCC3)n2[C@H](C)C1=O
InChIInChI=1S/C16H27N5O2/c1-3-6-20-12-15-18-17-14(21(15)13(2)16(20)22)5-4-7-19-8-10-23-11-9-19/h13H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyZGZKBTXOLXLOLJ-CYBMUJFWSA-N
MW321.43 g/mol
LogP0.86
Rot. Bonds6

About (5R)-5-methyl-3-(3-morpholin-4-ylpropyl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one

(5R)-5-methyl-3-(3-morpholin-4-ylpropyl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 163308048) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is (5R)-5-methyl-3-(3-morpholin-4-ylpropyl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

Compound Name(5R)-5-methyl-3-(3-morpholin-4-ylpropyl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
PubChem CID163308048
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name(5R)-5-methyl-3-(3-morpholin-4-ylpropyl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCCCN1Cc2nnc(CCCN3CCOCC3)n2[C@H](C)C1=O
InChIInChI=1S/C16H27N5O2/c1-3-6-20-12-15-18-17-14(21(15)13(2)16(20)22)5-4-7-19-8-10-23-11-9-19/h13H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyZGZKBTXOLXLOLJ-CYBMUJFWSA-N
XLogP0.86
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-(3-morpholin-4-ylpropyl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The IUPAC name of (5R)-5-methyl-3-(3-morpholin-4-ylpropyl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 163308048) is (5R)-5-methyl-3-(3-morpholin-4-ylpropyl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.
What is the SMILES notation for (5R)-5-methyl-3-(3-morpholin-4-ylpropyl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The canonical SMILES for (5R)-5-methyl-3-(3-morpholin-4-ylpropyl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is CCCN1Cc2nnc(CCCN3CCOCC3)n2[C@H](C)C1=O.
What is the InChIKey of (5R)-5-methyl-3-(3-morpholin-4-ylpropyl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The InChIKey is ZGZKBTXOLXLOLJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-3-6-20-12-15-18-17-14(21(15)13(2)16(20)22)5-4-7-19-8-10-23-11-9-19/h13H,3-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (5R)-5-methyl-3-(3-morpholin-4-ylpropyl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
(5R)-5-methyl-3-(3-morpholin-4-ylpropyl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 321.43 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-(3-morpholin-4-ylpropyl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 163308048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).