3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C10H16N4O — CID 43142771

IUPAC3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCOC1CNC(c2nnc3n2CCC3)C1
InChIInChI=1S/C10H16N4O/c1-15-7-5-8(11-6-7)10-13-12-9-3-2-4-14(9)10/h7-8,11H,2-6H2,1H3
InChIKeyAIWGFXXPRGYNSL-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.27
Rot. Bonds2

About 3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 43142771) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID43142771
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCOC1CNC(c2nnc3n2CCC3)C1
InChIInChI=1S/C10H16N4O/c1-15-7-5-8(11-6-7)10-13-12-9-3-2-4-14(9)10/h7-8,11H,2-6H2,1H3
InChIKeyAIWGFXXPRGYNSL-UHFFFAOYSA-N
XLogP0.27
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 43142771) is 3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is COC1CNC(c2nnc3n2CCC3)C1.
What is the InChIKey of 3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is AIWGFXXPRGYNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-15-7-5-8(11-6-7)10-13-12-9-3-2-4-14(9)10/h7-8,11H,2-6H2,1H3.
What are the key properties of 3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 208.26 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 43142771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).