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

C17H27N5O2 — CID 56814473

IUPAC2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCC(c2nnc3n2CCC3)CC1
InChIInChI=1S/C17H27N5O2/c1-13(17(23)21-9-11-24-12-10-21)20-7-4-14(5-8-20)16-19-18-15-3-2-6-22(15)16/h13-14H,2-12H2,1H3
InChIKeyPTFULZROYSYZPY-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.65
Rot. Bonds3

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

2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 56814473) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID56814473
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCC(c2nnc3n2CCC3)CC1
InChIInChI=1S/C17H27N5O2/c1-13(17(23)21-9-11-24-12-10-21)20-7-4-14(5-8-20)16-19-18-15-3-2-6-22(15)16/h13-14H,2-12H2,1H3
InChIKeyPTFULZROYSYZPY-UHFFFAOYSA-N
XLogP0.65
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 56814473) is 2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCOCC1)N1CCC(c2nnc3n2CCC3)CC1.
What is the InChIKey of 2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is PTFULZROYSYZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13(17(23)21-9-11-24-12-10-21)20-7-4-14(5-8-20)16-19-18-15-3-2-6-22(15)16/h13-14H,2-12H2,1H3.
What are the key properties of 2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 333.44 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 56814473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).