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

C17H29N5O — CID 177355038

IUPAC1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
SMILESCCC(=O)N1CCn2c(nnc2C2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C17H29N5O/c1-4-16(23)21-9-10-22-15(12-21)18-19-17(22)14-5-7-20(8-6-14)11-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyBKLVABWEOGSJGI-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.87
Rot. Bonds4

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

1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one (PubChem CID 177355038) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
PubChem CID177355038
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
SMILESCCC(=O)N1CCn2c(nnc2C2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C17H29N5O/c1-4-16(23)21-9-10-22-15(12-21)18-19-17(22)14-5-7-20(8-6-14)11-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyBKLVABWEOGSJGI-UHFFFAOYSA-N
XLogP1.87
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one?
The IUPAC name of 1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one (CID 177355038) is 1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one.
What is the SMILES notation for 1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one?
The canonical SMILES for 1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one is CCC(=O)N1CCn2c(nnc2C2CCN(CC(C)C)CC2)C1.
What is the InChIKey of 1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one?
The InChIKey is BKLVABWEOGSJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-4-16(23)21-9-10-22-15(12-21)18-19-17(22)14-5-7-20(8-6-14)11-13(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one?
1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one has a molecular weight of 319.45 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2-methylpropyl)piperidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 177355038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).