1-[4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidin-1-yl]ethanone

C14H23N5O — CID 43791492

IUPAC1-[4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(C)c2nnc3n2CCC3)CC1
InChIInChI=1S/C14H23N5O/c1-10(14-17-16-13-4-3-7-19(13)14)15-12-5-8-18(9-6-12)11(2)20/h10,12,15H,3-9H2,1-2H3
InChIKeyFGEDTJYYHHLOMG-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.89
Rot. Bonds3

About 1-[4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidin-1-yl]ethanone

1-[4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidin-1-yl]ethanone (PubChem CID 43791492) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidin-1-yl]ethanone
PubChem CID43791492
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-[4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(C)c2nnc3n2CCC3)CC1
InChIInChI=1S/C14H23N5O/c1-10(14-17-16-13-4-3-7-19(13)14)15-12-5-8-18(9-6-12)11(2)20/h10,12,15H,3-9H2,1-2H3
InChIKeyFGEDTJYYHHLOMG-UHFFFAOYSA-N
XLogP0.89
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidin-1-yl]ethanone (CID 43791492) is 1-[4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC(C)c2nnc3n2CCC3)CC1.
What is the InChIKey of 1-[4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidin-1-yl]ethanone?
The InChIKey is FGEDTJYYHHLOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10(14-17-16-13-4-3-7-19(13)14)15-12-5-8-18(9-6-12)11(2)20/h10,12,15H,3-9H2,1-2H3.
What are the key properties of 1-[4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidin-1-yl]ethanone?
1-[4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidin-1-yl]ethanone has a molecular weight of 277.37 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43791492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).