3-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazolo[4,5-b]pyrazine

C15H10FN5S — CID 11738454

IUPAC3-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazolo[4,5-b]pyrazine
SMILESFc1ccc(Cn2nnc3ncc(-c4cccs4)nc32)cc1
InChIInChI=1S/C15H10FN5S/c16-11-5-3-10(4-6-11)9-21-15-14(19-20-21)17-8-12(18-15)13-2-1-7-22-13/h1-8H,9H2
InChIKeyRZSFFEADPCOCNQ-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.14
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazolo[4,5-b]pyrazine

3-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazolo[4,5-b]pyrazine (PubChem CID 11738454) has the molecular formula C15H10FN5S and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazolo[4,5-b]pyrazine
PubChem CID11738454
Molecular FormulaC15H10FN5S
Molecular Weight311.35 g/mol
Exact Mass311.06
IUPAC Name3-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazolo[4,5-b]pyrazine
SMILESFc1ccc(Cn2nnc3ncc(-c4cccs4)nc32)cc1
InChIInChI=1S/C15H10FN5S/c16-11-5-3-10(4-6-11)9-21-15-14(19-20-21)17-8-12(18-15)13-2-1-7-22-13/h1-8H,9H2
InChIKeyRZSFFEADPCOCNQ-UHFFFAOYSA-N
XLogP3.14
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
6-Methyl-2-[5-(2-pyridinyl)-2-thienyl]imidazo[1,2-a]pyridine
CID 2813457
2-[(1-Methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44549080
2-Thiophen-2-ylimidazo[2,1-a]isoquinoline
CID 763549
2-p-Tolylsulfanylmethyl-imidazo[1,2-a]pyridine
CID 914413
3-(4-Fluorophenyl)-6-(2-thienyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1474449
3-((Pyridin-3-ylmethyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194785
2,3-Dimethyl-6-thiophen-2-ylimidazo[1,2-b][1,2,4]triazine
CID 615484
N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808829
3-[(2-Fluorophenyl)methyl]-7-(1,3-thiazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 9858577

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazolo[4,5-b]pyrazine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazolo[4,5-b]pyrazine (CID 11738454) is 3-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazolo[4,5-b]pyrazine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazolo[4,5-b]pyrazine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazolo[4,5-b]pyrazine is Fc1ccc(Cn2nnc3ncc(-c4cccs4)nc32)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazolo[4,5-b]pyrazine?
The InChIKey is RZSFFEADPCOCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5S/c16-11-5-3-10(4-6-11)9-21-15-14(19-20-21)17-8-12(18-15)13-2-1-7-22-13/h1-8H,9H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazolo[4,5-b]pyrazine?
3-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazolo[4,5-b]pyrazine has a molecular weight of 311.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazolo[4,5-b]pyrazine is sourced from PubChem (CID 11738454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).