7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C14H19N5O3 — CID 155880577

IUPAC7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1noc(C)c1CCC(=O)N1CCn2c(nn(C)c2=O)C1
InChIInChI=1S/C14H19N5O3/c1-9-11(10(2)22-16-9)4-5-13(20)18-6-7-19-12(8-18)15-17(3)14(19)21/h4-8H2,1-3H3
InChIKeyCNWFBMIICXLHEF-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.16
Rot. Bonds3

About 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 155880577) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID155880577
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1noc(C)c1CCC(=O)N1CCn2c(nn(C)c2=O)C1
InChIInChI=1S/C14H19N5O3/c1-9-11(10(2)22-16-9)4-5-13(20)18-6-7-19-12(8-18)15-17(3)14(19)21/h4-8H2,1-3H3
InChIKeyCNWFBMIICXLHEF-UHFFFAOYSA-N
XLogP0.16
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

7-hex-5-ynoyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
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3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
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(6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 125157221
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one
CID 9254485
1-acetyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 110107423
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CID 81209406
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 78792622
9-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one
CID 146074099
7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146040774
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8638751
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CID 8638640

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 155880577) is 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is Cc1noc(C)c1CCC(=O)N1CCn2c(nn(C)c2=O)C1.
What is the InChIKey of 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is CNWFBMIICXLHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-9-11(10(2)22-16-9)4-5-13(20)18-6-7-19-12(8-18)15-17(3)14(19)21/h4-8H2,1-3H3.
What are the key properties of 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 305.34 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 155880577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).