7-[(4-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

C20H22FN5O — CID 118169393

IUPAC7-[(4-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(C)Oc1ccc(C2c3nnnn3CCN2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H22FN5O/c1-14(2)27-18-9-5-16(6-10-18)19-20-22-23-24-26(20)12-11-25(19)13-15-3-7-17(21)8-4-15/h3-10,14,19H,11-13H2,1-2H3
InChIKeySISMUWDKAODVTB-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.20
Rot. Bonds5

About 7-[(4-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

7-[(4-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169393) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169393
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name7-[(4-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(C)Oc1ccc(C2c3nnnn3CCN2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H22FN5O/c1-14(2)27-18-9-5-16(6-10-18)19-20-22-23-24-26(20)12-11-25(19)13-15-3-7-17(21)8-4-15/h3-10,14,19H,11-13H2,1-2H3
InChIKeySISMUWDKAODVTB-UHFFFAOYSA-N
XLogP3.20
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-ylmethyl]-1,2,3,4-tetrahydro-isoquinoline
CID 9549627
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CID 654719
1-((1-benzyl-1H-tetrazol-5-yl)(2,3-dihydrobenzofuran-5-yl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158485
1-((1-benzyl-1H-tetrazol-5-yl)(4-(difluoromethoxy)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158590
1-((1-benzyl-1H-tetrazol-5-yl)(4-(trifluoromethoxy)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159046
1-((1-benzyl-1H-tetrazol-5-yl)(4-ethoxyphenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 49865449
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-phenyl-piperazine
CID 651378
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-(2-fluoro-phenyl)-piperazine
CID 651386
1-{(4-Methoxy-phenyl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-4-phenyl-piperazine
CID 653553
5-(4-methoxyphenyl)-1-(2-phenylethyl)-1H-tetrazole
CID 892565
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-phenyl-piperazine
CID 3208764
1-{(2-Chloro-phenyl)-[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-methyl}-4-methyl-piperazine
CID 6602644

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169393) is 7-[(4-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is CC(C)Oc1ccc(C2c3nnnn3CCN2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is SISMUWDKAODVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-14(2)27-18-9-5-16(6-10-18)19-20-22-23-24-26(20)12-11-25(19)13-15-3-7-17(21)8-4-15/h3-10,14,19H,11-13H2,1-2H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
7-[(4-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 367.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).