3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]imidazo[4,5-b]pyrazine

C13H9FN8 — CID 166395359

IUPAC3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]imidazo[4,5-b]pyrazine
SMILESFc1ccc(-n2nnnc2Cn2cnc3nccnc32)cc1
InChIInChI=1S/C13H9FN8/c14-9-1-3-10(4-2-9)22-11(18-19-20-22)7-21-8-17-12-13(21)16-6-5-15-12/h1-6,8H,7H2
InChIKeyBUJXVLUXBOMMDF-UHFFFAOYSA-N
MW296.27 g/mol
LogP0.99
Rot. Bonds3

About 3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]imidazo[4,5-b]pyrazine

3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]imidazo[4,5-b]pyrazine (PubChem CID 166395359) has the molecular formula C13H9FN8 and a molecular weight of 296.27 g/mol. Its IUPAC name is 3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]imidazo[4,5-b]pyrazine
PubChem CID166395359
Molecular FormulaC13H9FN8
Molecular Weight296.27 g/mol
Exact Mass296.09
IUPAC Name3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]imidazo[4,5-b]pyrazine
SMILESFc1ccc(-n2nnnc2Cn2cnc3nccnc32)cc1
InChIInChI=1S/C13H9FN8/c14-9-1-3-10(4-2-9)22-11(18-19-20-22)7-21-8-17-12-13(21)16-6-5-15-12/h1-6,8H,7H2
InChIKeyBUJXVLUXBOMMDF-UHFFFAOYSA-N
XLogP0.99
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62736275
(4-fluorophenyl)-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazol-2-yl]methanol
CID 155949211
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 55109003
5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole
CID 19798559
1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]but-2-en-1-one
CID 71961406
5-(2-cyclobutyloxyethylsulfonylmethyl)-1-(4-fluorophenyl)tetrazole
CID 167962035
1-(2,5-difluorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
CID 29339724
5-[(4-fluoroanilino)methyl]-2-[(1-phenyltetrazol-5-yl)methyl]-4H-1,2,4-triazol-3-one
CID 135658427
(4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30858119
1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
CID 29339732
ethyl 2-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-oxoacetate
CID 30937013
5-(imidazol-1-ylmethyl)-1-phenyltetrazole
CID 36795770

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]imidazo[4,5-b]pyrazine?
The IUPAC name of 3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]imidazo[4,5-b]pyrazine (CID 166395359) is 3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]imidazo[4,5-b]pyrazine.
What is the SMILES notation for 3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]imidazo[4,5-b]pyrazine?
The canonical SMILES for 3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]imidazo[4,5-b]pyrazine is Fc1ccc(-n2nnnc2Cn2cnc3nccnc32)cc1.
What is the InChIKey of 3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]imidazo[4,5-b]pyrazine?
The InChIKey is BUJXVLUXBOMMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN8/c14-9-1-3-10(4-2-9)22-11(18-19-20-22)7-21-8-17-12-13(21)16-6-5-15-12/h1-6,8H,7H2.
What are the key properties of 3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]imidazo[4,5-b]pyrazine?
3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]imidazo[4,5-b]pyrazine has a molecular weight of 296.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]imidazo[4,5-b]pyrazine is sourced from PubChem (CID 166395359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).