[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone

C14H19N5O4 — CID 131694731

IUPAC[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCCOCc1nnc2n1CCN(C(=O)c1cc(OC)no1)C2C
InChIInChI=1S/C14H19N5O4/c1-4-22-8-11-15-16-13-9(2)18(5-6-19(11)13)14(20)10-7-12(21-3)17-23-10/h7,9H,4-6,8H2,1-3H3
InChIKeyBBBGPZKDSXFDNH-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.03
Rot. Bonds5

About [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone

[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone (PubChem CID 131694731) has the molecular formula C14H19N5O4 and a molecular weight of 321.34 g/mol. Its IUPAC name is [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
PubChem CID131694731
Molecular FormulaC14H19N5O4
Molecular Weight321.34 g/mol
Exact Mass321.14
IUPAC Name[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCCOCc1nnc2n1CCN(C(=O)c1cc(OC)no1)C2C
InChIInChI=1S/C14H19N5O4/c1-4-22-8-11-15-16-13-9(2)18(5-6-19(11)13)14(20)10-7-12(21-3)17-23-10/h7,9H,4-6,8H2,1-3H3
InChIKeyBBBGPZKDSXFDNH-UHFFFAOYSA-N
XLogP1.03
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone (CID 131694731) is [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone is CCOCc1nnc2n1CCN(C(=O)c1cc(OC)no1)C2C.
What is the InChIKey of [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The InChIKey is BBBGPZKDSXFDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4/c1-4-22-8-11-15-16-13-9(2)18(5-6-19(11)13)14(20)10-7-12(21-3)17-23-10/h7,9H,4-6,8H2,1-3H3.
What are the key properties of [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone has a molecular weight of 321.34 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 131694731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).