methyl 7-[5-[[benzyl(methyl)amino]methyl]triazol-1-yl]thieno[2,3-b]pyrazine-6-carboxylate

C19H18N6O2S — CID 134852975

IUPACmethyl 7-[5-[[benzyl(methyl)amino]methyl]triazol-1-yl]thieno[2,3-b]pyrazine-6-carboxylate
SMILESCOC(=O)c1sc2nccnc2c1-n1nncc1CN(C)Cc1ccccc1
InChIInChI=1S/C19H18N6O2S/c1-24(11-13-6-4-3-5-7-13)12-14-10-22-23-25(14)16-15-18(21-9-8-20-15)28-17(16)19(26)27-2/h3-10H,11-12H2,1-2H3
InChIKeyXTHIMKDNTPFUNV-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.69
Rot. Bonds6

About methyl 7-[5-[[benzyl(methyl)amino]methyl]triazol-1-yl]thieno[2,3-b]pyrazine-6-carboxylate

methyl 7-[5-[[benzyl(methyl)amino]methyl]triazol-1-yl]thieno[2,3-b]pyrazine-6-carboxylate (PubChem CID 134852975) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is methyl 7-[5-[[benzyl(methyl)amino]methyl]triazol-1-yl]thieno[2,3-b]pyrazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-[5-[[benzyl(methyl)amino]methyl]triazol-1-yl]thieno[2,3-b]pyrazine-6-carboxylate
PubChem CID134852975
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Namemethyl 7-[5-[[benzyl(methyl)amino]methyl]triazol-1-yl]thieno[2,3-b]pyrazine-6-carboxylate
SMILESCOC(=O)c1sc2nccnc2c1-n1nncc1CN(C)Cc1ccccc1
InChIInChI=1S/C19H18N6O2S/c1-24(11-13-6-4-3-5-7-13)12-14-10-22-23-25(14)16-15-18(21-9-8-20-15)28-17(16)19(26)27-2/h3-10H,11-12H2,1-2H3
InChIKeyXTHIMKDNTPFUNV-UHFFFAOYSA-N
XLogP2.69
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 7-[5-[[benzyl(methyl)amino]methyl]triazol-1-yl]thieno[2,3-b]pyrazine-6-carboxylate with MolForge

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Related Compounds

methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylate
CID 16011742
Methyl 3-amino-6-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridine-2-carboxylate
CID 50908125
ethyl 4-(dimethylamino)-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylate
CID 1475671
[1-(2-Fluorophenyl)triazol-4-yl]methyl 2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 177644236
Ethyl 3-[4-(2-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate
CID 132597923
Ethyl 3-[4-(3-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate
CID 132597924
Ethyl 3-[4-(4-fluorophenyl)triazol-1-yl]thieno[3,2-b]pyridine-2-carboxylate
CID 132597925
methyl 4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylate
CID 707621
[1-(4-Methylphenyl)triazol-4-yl]methyl 2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 177641891
[1-(4-Ethylphenyl)triazol-4-yl]methyl 4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate
CID 177642959
[1-(4-Methylphenyl)triazol-4-yl]methyl 4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate
CID 177642971
[1-(2-Methylphenyl)triazol-4-yl]methyl 2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 177644225

Frequently Asked Questions

What is the IUPAC name of methyl 7-[5-[[benzyl(methyl)amino]methyl]triazol-1-yl]thieno[2,3-b]pyrazine-6-carboxylate?
The IUPAC name of methyl 7-[5-[[benzyl(methyl)amino]methyl]triazol-1-yl]thieno[2,3-b]pyrazine-6-carboxylate (CID 134852975) is methyl 7-[5-[[benzyl(methyl)amino]methyl]triazol-1-yl]thieno[2,3-b]pyrazine-6-carboxylate.
What is the SMILES notation for methyl 7-[5-[[benzyl(methyl)amino]methyl]triazol-1-yl]thieno[2,3-b]pyrazine-6-carboxylate?
The canonical SMILES for methyl 7-[5-[[benzyl(methyl)amino]methyl]triazol-1-yl]thieno[2,3-b]pyrazine-6-carboxylate is COC(=O)c1sc2nccnc2c1-n1nncc1CN(C)Cc1ccccc1.
What is the InChIKey of methyl 7-[5-[[benzyl(methyl)amino]methyl]triazol-1-yl]thieno[2,3-b]pyrazine-6-carboxylate?
The InChIKey is XTHIMKDNTPFUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-24(11-13-6-4-3-5-7-13)12-14-10-22-23-25(14)16-15-18(21-9-8-20-15)28-17(16)19(26)27-2/h3-10H,11-12H2,1-2H3.
What are the key properties of methyl 7-[5-[[benzyl(methyl)amino]methyl]triazol-1-yl]thieno[2,3-b]pyrazine-6-carboxylate?
methyl 7-[5-[[benzyl(methyl)amino]methyl]triazol-1-yl]thieno[2,3-b]pyrazine-6-carboxylate has a molecular weight of 394.46 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[5-[[benzyl(methyl)amino]methyl]triazol-1-yl]thieno[2,3-b]pyrazine-6-carboxylate is sourced from PubChem (CID 134852975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).