3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one

C17H20N6O2 — CID 129002349

IUPAC3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one
SMILESCc1nc2cncc(N3CCN(C(=O)CCc4ccco4)CC3)n2n1
InChIInChI=1S/C17H20N6O2/c1-13-19-15-11-18-12-16(23(15)20-13)21-6-8-22(9-7-21)17(24)5-4-14-3-2-10-25-14/h2-3,10-12H,4-9H2,1H3
InChIKeyUHXQENAKIHLWIB-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.31
Rot. Bonds4

About 3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one

3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one (PubChem CID 129002349) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one
PubChem CID129002349
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one
SMILESCc1nc2cncc(N3CCN(C(=O)CCc4ccco4)CC3)n2n1
InChIInChI=1S/C17H20N6O2/c1-13-19-15-11-18-12-16(23(15)20-13)21-6-8-22(9-7-21)17(24)5-4-14-3-2-10-25-14/h2-3,10-12H,4-9H2,1H3
InChIKeyUHXQENAKIHLWIB-UHFFFAOYSA-N
XLogP1.31
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one (CID 129002349) is 3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one is Cc1nc2cncc(N3CCN(C(=O)CCc4ccco4)CC3)n2n1.
What is the InChIKey of 3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one?
The InChIKey is UHXQENAKIHLWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-13-19-15-11-18-12-16(23(15)20-13)21-6-8-22(9-7-21)17(24)5-4-14-3-2-10-25-14/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one?
3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one has a molecular weight of 340.39 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 129002349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).