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

C16H20N4O — CID 64575553

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CN2CCn3cnnc3C2)cc1
InChIInChI=1S/C16H20N4O/c1-12(2)13-3-5-14(6-4-13)15(21)9-19-7-8-20-11-17-18-16(20)10-19/h3-6,11-12H,7-10H2,1-2H3
InChIKeyIKBROLPVTDZDRM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.10
Rot. Bonds4

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 64575553) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID64575553
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CN2CCn3cnnc3C2)cc1
InChIInChI=1S/C16H20N4O/c1-12(2)13-3-5-14(6-4-13)15(21)9-19-7-8-20-11-17-18-16(20)10-19/h3-6,11-12H,7-10H2,1-2H3
InChIKeyIKBROLPVTDZDRM-UHFFFAOYSA-N
XLogP2.10
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-phenylethanone
CID 64575367
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 63026239
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-one
CID 64577447
1-(2-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 64575368
1-(2,5-dichlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 64577442
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 43228365
1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103499002
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone
CID 110366829
methyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-hydroxy-2-methylpropanoate
CID 64577079
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(1H-indol-3-yl)ethanone
CID 63613529
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-piperazin-1-ylethanone
CID 64576669
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 62023323

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-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-propan-2-ylphenyl)ethanone (CID 64575553) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)CN2CCn3cnnc3C2)cc1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is IKBROLPVTDZDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(2)13-3-5-14(6-4-13)15(21)9-19-7-8-20-11-17-18-16(20)10-19/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-propan-2-ylphenyl)ethanone?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 284.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 64575553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).