ethyl (5R,7R)-7-hydroxy-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate

C11H17N3O3 — CID 137408402

IUPACethyl (5R,7R)-7-hydroxy-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate
SMILESCCC[C@@H]1C[C@@H](O)c2nc(C(=O)OCC)nn21
InChIInChI=1S/C11H17N3O3/c1-3-5-7-6-8(15)10-12-9(13-14(7)10)11(16)17-4-2/h7-8,15H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyWFIFDAUNFJWEDI-HTQZYQBOSA-N
MW239.27 g/mol
LogP1.23
Rot. Bonds4

About ethyl (5R,7R)-7-hydroxy-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate

ethyl (5R,7R)-7-hydroxy-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate (PubChem CID 137408402) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl (5R,7R)-7-hydroxy-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate.

Molecular Properties

Compound Nameethyl (5R,7R)-7-hydroxy-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate
PubChem CID137408402
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Nameethyl (5R,7R)-7-hydroxy-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate
SMILESCCC[C@@H]1C[C@@H](O)c2nc(C(=O)OCC)nn21
InChIInChI=1S/C11H17N3O3/c1-3-5-7-6-8(15)10-12-9(13-14(7)10)11(16)17-4-2/h7-8,15H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyWFIFDAUNFJWEDI-HTQZYQBOSA-N
XLogP1.23
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (5R,7R)-7-hydroxy-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl (5S,7R)-7-hydroxy-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate
CID 134571894
ethyl (7S)-2'-ethyl-7-fluorospiro[6,7-dihydropyrrolo[1,2-b][1,2,4]triazole-5,1'-cyclopropane]-2-carboxylate
CID 163691559
ethyl 5-(1,1-dioxothian-2-yl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 113422475
ethyl 1-methyl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazole-3-carboxylate
CID 104622708
ethyl 5-bromo-1-fluorosulfanyl-1,2,4-triazole-3-carboxylate
CID 156647090
ethyl 1-methyl-5-pentyl-1,2,4-triazole-3-carboxylate
CID 63382084
ethyl 7-fluoro-5-propyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate
CID 174174995
ethyl 1-methyl-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-triazole-3-carboxylate
CID 107127655
ethyl 1-cyclopentyl-5-[(1E,3Z)-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dienyl]-1,2,4-triazole-3-carboxylate
CID 146209739
ethyl 5-(methoxymethyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 63382492
ethyl 6-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989673
ethyl 5-(2-methoxypropan-2-yl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 103022492

Frequently Asked Questions

What is the IUPAC name of ethyl (5R,7R)-7-hydroxy-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate?
The IUPAC name of ethyl (5R,7R)-7-hydroxy-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate (CID 137408402) is ethyl (5R,7R)-7-hydroxy-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate.
What is the SMILES notation for ethyl (5R,7R)-7-hydroxy-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate?
The canonical SMILES for ethyl (5R,7R)-7-hydroxy-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate is CCC[C@@H]1C[C@@H](O)c2nc(C(=O)OCC)nn21.
What is the InChIKey of ethyl (5R,7R)-7-hydroxy-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate?
The InChIKey is WFIFDAUNFJWEDI-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-5-7-6-8(15)10-12-9(13-14(7)10)11(16)17-4-2/h7-8,15H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of ethyl (5R,7R)-7-hydroxy-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate?
ethyl (5R,7R)-7-hydroxy-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R,7R)-7-hydroxy-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate is sourced from PubChem (CID 137408402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).