2-cyclopentyloxy-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide

C19H24N4O2 — CID 56786832

IUPAC2-cyclopentyloxy-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1nnc2n1CCC2)c1ccccc1OC1CCCC1
InChIInChI=1S/C19H24N4O2/c24-19(20-12-11-18-22-21-17-10-5-13-23(17)18)15-8-3-4-9-16(15)25-14-6-1-2-7-14/h3-4,8-9,14H,1-2,5-7,10-13H2,(H,20,24)
InChIKeyYVGLYBILCIAKDB-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.52
Rot. Bonds6

About 2-cyclopentyloxy-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide

2-cyclopentyloxy-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide (PubChem CID 56786832) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-cyclopentyloxy-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide
PubChem CID56786832
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-cyclopentyloxy-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1nnc2n1CCC2)c1ccccc1OC1CCCC1
InChIInChI=1S/C19H24N4O2/c24-19(20-12-11-18-22-21-17-10-5-13-23(17)18)15-8-3-4-9-16(15)25-14-6-1-2-7-14/h3-4,8-9,14H,1-2,5-7,10-13H2,(H,20,24)
InChIKeyYVGLYBILCIAKDB-UHFFFAOYSA-N
XLogP2.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide?
The IUPAC name of 2-cyclopentyloxy-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide (CID 56786832) is 2-cyclopentyloxy-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-cyclopentyloxy-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-cyclopentyloxy-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide is O=C(NCCc1nnc2n1CCC2)c1ccccc1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide?
The InChIKey is YVGLYBILCIAKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(20-12-11-18-22-21-17-10-5-13-23(17)18)15-8-3-4-9-16(15)25-14-6-1-2-7-14/h3-4,8-9,14H,1-2,5-7,10-13H2,(H,20,24).
What are the key properties of 2-cyclopentyloxy-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide?
2-cyclopentyloxy-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 56786832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).