7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C15H17N5O3 — CID 146041620

IUPAC7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)c1cccc3n[nH]nc13)C2
InChIInChI=1S/C15H17N5O3/c1-2-15-8-19(6-7-20(15)14(22)23-9-15)13(21)10-4-3-5-11-12(10)17-18-16-11/h3-5H,2,6-9H2,1H3,(H,16,17,18)
InChIKeyRAICMYGYILKMOP-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.01
Rot. Bonds2

About 7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 146041620) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID146041620
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)c1cccc3n[nH]nc13)C2
InChIInChI=1S/C15H17N5O3/c1-2-15-8-19(6-7-20(15)14(22)23-9-15)13(21)10-4-3-5-11-12(10)17-18-16-11/h3-5H,2,6-9H2,1H3,(H,16,17,18)
InChIKeyRAICMYGYILKMOP-UHFFFAOYSA-N
XLogP1.01
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8a-ethyl-7-[2-(1,2,4-triazol-4-yl)benzoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146044891
8a-ethyl-7-(4-oxo-3H-quinazoline-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146046870
8a-ethyl-7-[2-(2-oxo-1-pyridinyl)acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146044620
8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146042858
7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146039795
8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 154566446
8a-ethyl-7-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146044342
8a-ethyl-7-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146038617
2-(8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)benzonitrile
CID 146042629
2H-benzotriazol-4-yl-(8-methyl-2-azaspiro[4.4]nonan-2-yl)methanone
CID 86804539
2H-benzotriazol-4-yl(1,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 167865582
8a-ethyl-7-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 176506766

Frequently Asked Questions

What is the IUPAC name of 7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 146041620) is 7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is CCC12COC(=O)N1CCN(C(=O)c1cccc3n[nH]nc13)C2.
What is the InChIKey of 7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is RAICMYGYILKMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-2-15-8-19(6-7-20(15)14(22)23-9-15)13(21)10-4-3-5-11-12(10)17-18-16-11/h3-5H,2,6-9H2,1H3,(H,16,17,18).
What are the key properties of 7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 315.33 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 146041620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).