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

C17H20N4O3 — CID 134788210

IUPAC[3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1-c1nnc2n1C(C(=O)N1CCOCC1)CC2
InChIInChI=1S/C17H20N4O3/c1-23-14-5-3-2-4-12(14)16-19-18-15-7-6-13(21(15)16)17(22)20-8-10-24-11-9-20/h2-5,13H,6-11H2,1H3
InChIKeyGYNILJDLJOVAME-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.30
Rot. Bonds3

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

[3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 134788210) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-morpholin-4-ylmethanone
PubChem CID134788210
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name[3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1-c1nnc2n1C(C(=O)N1CCOCC1)CC2
InChIInChI=1S/C17H20N4O3/c1-23-14-5-3-2-4-12(14)16-19-18-15-7-6-13(21(15)16)17(22)20-8-10-24-11-9-20/h2-5,13H,6-11H2,1H3
InChIKeyGYNILJDLJOVAME-UHFFFAOYSA-N
XLogP1.30
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134790953
US11071721, Example 77
CID 134563898
1-(2-Ethylmorpholin-4-yl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 48551313
N-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134796731
N-[(3-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134798941
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134799928
N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134789292
4-[(1-{4-[2-(2-methoxyphenyl)-1-pyrrolidinyl]-4-oxobutyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 45199802
[3-(4-methoxyphenyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl](2-pyrrolidinyl)methanone
CID 53193515
3-[1-(2-methoxybenzoyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylic acid
CID 134787448
3-(2-methoxyphenyl)-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134787675
[3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone
CID 134788991

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]-morpholin-4-ylmethanone?
The IUPAC name of [3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-morpholin-4-ylmethanone (CID 134788210) is [3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-morpholin-4-ylmethanone is COc1ccccc1-c1nnc2n1C(C(=O)N1CCOCC1)CC2.
What is the InChIKey of [3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is GYNILJDLJOVAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-14-5-3-2-4-12(14)16-19-18-15-7-6-13(21(15)16)17(22)20-8-10-24-11-9-20/h2-5,13H,6-11H2,1H3.
What are the key properties of [3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-morpholin-4-ylmethanone?
[3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 328.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 134788210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).