methyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate

C8H11N3O2 — CID 10241424

IUPACmethyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate
SMILESCOC(=O)C1CCc2nnc(C)n21
InChIInChI=1S/C8H11N3O2/c1-5-9-10-7-4-3-6(11(5)7)8(12)13-2/h6H,3-4H2,1-2H3
InChIKeyBTSLIEXNBPMOGD-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.25
Rot. Bonds1

About methyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate

methyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate (PubChem CID 10241424) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate
PubChem CID10241424
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Namemethyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate
SMILESCOC(=O)C1CCc2nnc(C)n21
InChIInChI=1S/C8H11N3O2/c1-5-9-10-7-4-3-6(11(5)7)8(12)13-2/h6H,3-4H2,1-2H3
InChIKeyBTSLIEXNBPMOGD-UHFFFAOYSA-N
XLogP0.25
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate 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 methyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate?
The IUPAC name of methyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate (CID 10241424) is methyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate.
What is the SMILES notation for methyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate?
The canonical SMILES for methyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate is COC(=O)C1CCc2nnc(C)n21.
What is the InChIKey of methyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate?
The InChIKey is BTSLIEXNBPMOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-9-10-7-4-3-6(11(5)7)8(12)13-2/h6H,3-4H2,1-2H3.
What are the key properties of methyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate?
methyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate is sourced from PubChem (CID 10241424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).