7-[(4-fluorophenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-5,8-dihydrotetrazolo[1,5-a]pyrazin-6-one

C20H20FN5O4 — CID 20855135

IUPAC7-[(4-fluorophenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-5,8-dihydrotetrazolo[1,5-a]pyrazin-6-one
SMILESCOc1cc(C2c3nnnn3CC(=O)N2Cc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C20H20FN5O4/c1-28-15-8-13(9-16(29-2)19(15)30-3)18-20-22-23-24-26(20)11-17(27)25(18)10-12-4-6-14(21)7-5-12/h4-9,18H,10-11H2,1-3H3
InChIKeyAATBVDQFTPZHDU-UHFFFAOYSA-N
MW413.41 g/mol
LogP1.97
Rot. Bonds6

About 7-[(4-fluorophenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-5,8-dihydrotetrazolo[1,5-a]pyrazin-6-one

7-[(4-fluorophenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-5,8-dihydrotetrazolo[1,5-a]pyrazin-6-one (PubChem CID 20855135) has the molecular formula C20H20FN5O4 and a molecular weight of 413.41 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-5,8-dihydrotetrazolo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-5,8-dihydrotetrazolo[1,5-a]pyrazin-6-one
PubChem CID20855135
Molecular FormulaC20H20FN5O4
Molecular Weight413.41 g/mol
Exact Mass413.15
IUPAC Name7-[(4-fluorophenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-5,8-dihydrotetrazolo[1,5-a]pyrazin-6-one
SMILESCOc1cc(C2c3nnnn3CC(=O)N2Cc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C20H20FN5O4/c1-28-15-8-13(9-16(29-2)19(15)30-3)18-20-22-23-24-26(20)11-17(27)25(18)10-12-4-6-14(21)7-5-12/h4-9,18H,10-11H2,1-3H3
InChIKeyAATBVDQFTPZHDU-UHFFFAOYSA-N
XLogP1.97
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[(4-fluorophenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-5,8-dihydrotetrazolo[1,5-a]pyrazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-5,8-dihydrotetrazolo[1,5-a]pyrazin-6-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-5,8-dihydrotetrazolo[1,5-a]pyrazin-6-one (CID 20855135) is 7-[(4-fluorophenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-5,8-dihydrotetrazolo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-5,8-dihydrotetrazolo[1,5-a]pyrazin-6-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-5,8-dihydrotetrazolo[1,5-a]pyrazin-6-one is COc1cc(C2c3nnnn3CC(=O)N2Cc2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-5,8-dihydrotetrazolo[1,5-a]pyrazin-6-one?
The InChIKey is AATBVDQFTPZHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O4/c1-28-15-8-13(9-16(29-2)19(15)30-3)18-20-22-23-24-26(20)11-17(27)25(18)10-12-4-6-14(21)7-5-12/h4-9,18H,10-11H2,1-3H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-5,8-dihydrotetrazolo[1,5-a]pyrazin-6-one?
7-[(4-fluorophenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-5,8-dihydrotetrazolo[1,5-a]pyrazin-6-one has a molecular weight of 413.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-5,8-dihydrotetrazolo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 20855135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).