[3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone

C17H20N4O2 — CID 134788991

IUPAC[3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1-c1nnc2n1C(C(=O)N1CCCC1)CC2
InChIInChI=1S/C17H20N4O2/c1-23-14-7-3-2-6-12(14)16-19-18-15-9-8-13(21(15)16)17(22)20-10-4-5-11-20/h2-3,6-7,13H,4-5,8-11H2,1H3
InChIKeyUAWJKUFAJIKJMD-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.06
Rot. Bonds3

About [3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone

[3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134788991) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID134788991
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1-c1nnc2n1C(C(=O)N1CCCC1)CC2
InChIInChI=1S/C17H20N4O2/c1-23-14-7-3-2-6-12(14)16-19-18-15-9-8-13(21(15)16)17(22)20-10-4-5-11-20/h2-3,6-7,13H,4-5,8-11H2,1H3
InChIKeyUAWJKUFAJIKJMD-UHFFFAOYSA-N
XLogP2.06
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone 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-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone (CID 134788991) is [3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone is COc1ccccc1-c1nnc2n1C(C(=O)N1CCCC1)CC2.
What is the InChIKey of [3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UAWJKUFAJIKJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-14-7-3-2-6-12(14)16-19-18-15-9-8-13(21(15)16)17(22)20-10-4-5-11-20/h2-3,6-7,13H,4-5,8-11H2,1H3.
What are the key properties of [3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone?
[3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 312.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134788991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).