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

C11H18N6O — CID 64576669

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-piperazin-1-ylethanone
SMILESO=C(CN1CCn2cnnc2C1)N1CCNCC1
InChIInChI=1S/C11H18N6O/c18-11(16-3-1-12-2-4-16)8-15-5-6-17-9-13-14-10(17)7-15/h9,12H,1-8H2
InChIKeyVSLRSDSFSULJIF-UHFFFAOYSA-N
MW250.31 g/mol
LogP-1.47
Rot. Bonds2

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-piperazin-1-ylethanone (PubChem CID 64576669) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-piperazin-1-ylethanone
PubChem CID64576669
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-piperazin-1-ylethanone
SMILESO=C(CN1CCn2cnnc2C1)N1CCNCC1
InChIInChI=1S/C11H18N6O/c18-11(16-3-1-12-2-4-16)8-15-5-6-17-9-13-14-10(17)7-15/h9,12H,1-8H2
InChIKeyVSLRSDSFSULJIF-UHFFFAOYSA-N
XLogP-1.47
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-one
CID 64577447
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-phenylethanone
CID 64575367
1-(2-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 64575368
2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-piperazin-1-ylethanone;dihydrochloride
CID 154910440
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
4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
CID 66084891
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid
CID 64575921
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
7-(1,4-diazepan-1-ylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64576901
N-(3-amino-4-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 64577650
7-(5-chloropentyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64578046
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylbut-2-enoic acid
CID 77101124

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-piperazin-1-ylethanone (CID 64576669) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-piperazin-1-ylethanone is O=C(CN1CCn2cnnc2C1)N1CCNCC1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-piperazin-1-ylethanone?
The InChIKey is VSLRSDSFSULJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c18-11(16-3-1-12-2-4-16)8-15-5-6-17-9-13-14-10(17)7-15/h9,12H,1-8H2.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-piperazin-1-ylethanone?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-piperazin-1-ylethanone has a molecular weight of 250.31 g/mol, XLogP of -1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 64576669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).