2-(3-amino-1,2,4-triazol-1-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone

C9H12N8O — CID 64583915

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESNc1ncn(CC(=O)N2CCn3cnnc3C2)n1
InChIInChI=1S/C9H12N8O/c10-9-11-5-17(14-9)4-8(18)15-1-2-16-6-12-13-7(16)3-15/h5-6H,1-4H2,(H2,10,14)
InChIKeyFNLITDPOFUREIH-UHFFFAOYSA-N
MW248.25 g/mol
LogP-1.51
Rot. Bonds2

About 2-(3-amino-1,2,4-triazol-1-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone

2-(3-amino-1,2,4-triazol-1-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (PubChem CID 64583915) has the molecular formula C9H12N8O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
PubChem CID64583915
Molecular FormulaC9H12N8O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESNc1ncn(CC(=O)N2CCn3cnnc3C2)n1
InChIInChI=1S/C9H12N8O/c10-9-11-5-17(14-9)4-8(18)15-1-2-16-6-12-13-7(16)3-15/h5-6H,1-4H2,(H2,10,14)
InChIKeyFNLITDPOFUREIH-UHFFFAOYSA-N
XLogP-1.51
TPSA107.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-1.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(3-amino-1,2,4-triazol-1-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone with MolForge

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Related Compounds

1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 66287894
3-(4-aminophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 64583536
2-(2-aminoethoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 79478280
2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethoxy]acetic acid
CID 64575394
2-(3-amino-1,2,4-triazol-1-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 107210992
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one
CID 79193296
(2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574910
5-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-one
CID 82688407
2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 104678296
2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 64576761
2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62935640
2-(3-amino-1,2,4-triazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 61112019

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (CID 64583915) is 2-(3-amino-1,2,4-triazol-1-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is Nc1ncn(CC(=O)N2CCn3cnnc3C2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The InChIKey is FNLITDPOFUREIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N8O/c10-9-11-5-17(14-9)4-8(18)15-1-2-16-6-12-13-7(16)3-15/h5-6H,1-4H2,(H2,10,14).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
2-(3-amino-1,2,4-triazol-1-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone has a molecular weight of 248.25 g/mol, XLogP of -1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 64583915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).