methyl 5-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyrazine-2-carboxylate

C16H14FN5O3 — CID 67498031

IUPACmethyl 5-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(OCc2c(C)nnn2-c2ccc(F)cc2)cn1
InChIInChI=1S/C16H14FN5O3/c1-10-14(22(21-20-10)12-5-3-11(17)4-6-12)9-25-15-8-18-13(7-19-15)16(23)24-2/h3-8H,9H2,1-2H3
InChIKeyPQAXPGCNSRJFHK-UHFFFAOYSA-N
MW343.32 g/mol
LogP1.87
Rot. Bonds5

About methyl 5-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyrazine-2-carboxylate

methyl 5-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyrazine-2-carboxylate (PubChem CID 67498031) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is methyl 5-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyrazine-2-carboxylate
PubChem CID67498031
Molecular FormulaC16H14FN5O3
Molecular Weight343.32 g/mol
Exact Mass343.11
IUPAC Namemethyl 5-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(OCc2c(C)nnn2-c2ccc(F)cc2)cn1
InChIInChI=1S/C16H14FN5O3/c1-10-14(22(21-20-10)12-5-3-11(17)4-6-12)9-25-15-8-18-13(7-19-15)16(23)24-2/h3-8H,9H2,1-2H3
InChIKeyPQAXPGCNSRJFHK-UHFFFAOYSA-N
XLogP1.87
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide
CID 57335700
6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propylpyridazine-3-carboxamide
CID 67498216
6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide
CID 57335832
methyl 1-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxylate
CID 94068970
methyl 5-ethyl-1-(4-fluorophenyl)triazole-4-carboxylate
CID 94068968
3-fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine
CID 167438741
dimethyl 1-(4-fluorophenyl)pyrazole-3,5-dicarboxylate
CID 11140407
2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 175123914
[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-(oxan-3-yl)methanone
CID 146468979
methyl (2S)-1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazine-2-carboxylate
CID 167438864
methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 178088151
methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate
CID 114059663

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyrazine-2-carboxylate (CID 67498031) is methyl 5-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyrazine-2-carboxylate is COC(=O)c1cnc(OCc2c(C)nnn2-c2ccc(F)cc2)cn1.
What is the InChIKey of methyl 5-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyrazine-2-carboxylate?
The InChIKey is PQAXPGCNSRJFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3/c1-10-14(22(21-20-10)12-5-3-11(17)4-6-12)9-25-15-8-18-13(7-19-15)16(23)24-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 5-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyrazine-2-carboxylate?
methyl 5-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyrazine-2-carboxylate has a molecular weight of 343.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyrazine-2-carboxylate is sourced from PubChem (CID 67498031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).