5-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]-1-methylpyridin-2-one

C16H12FN7O — CID 168758976

IUPAC5-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2c(-c3ccc(F)cc3)nc(N)c3nnnn23)ccc1=O
InChIInChI=1S/C16H12FN7O/c1-23-8-10(4-7-12(23)25)14-13(9-2-5-11(17)6-3-9)19-15(18)16-20-21-22-24(14)16/h2-8H,1H3,(H2,18,19)
InChIKeyPKEOTZXEBHKDIS-UHFFFAOYSA-N
MW337.32 g/mol
LogP1.27
Rot. Bonds2

About 5-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]-1-methylpyridin-2-one

5-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]-1-methylpyridin-2-one (PubChem CID 168758976) has the molecular formula C16H12FN7O and a molecular weight of 337.32 g/mol. Its IUPAC name is 5-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]-1-methylpyridin-2-one
PubChem CID168758976
Molecular FormulaC16H12FN7O
Molecular Weight337.32 g/mol
Exact Mass337.11
IUPAC Name5-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2c(-c3ccc(F)cc3)nc(N)c3nnnn23)ccc1=O
InChIInChI=1S/C16H12FN7O/c1-23-8-10(4-7-12(23)25)14-13(9-2-5-11(17)6-3-9)19-15(18)16-20-21-22-24(14)16/h2-8H,1H3,(H2,18,19)
InChIKeyPKEOTZXEBHKDIS-UHFFFAOYSA-N
XLogP1.27
TPSA103.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-fluorophenyl)-5-imidazo[1,2-a]pyridin-6-yltetrazolo[1,5-a]pyrazin-8-amine
CID 168758992
6-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 168758967
7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine
CID 168758981
5-(4-methylquinolin-6-yl)-6-pyridin-4-yltetrazolo[1,5-a]pyrazin-8-amine
CID 168758978
6-(4-chlorophenyl)-5-(4-methylquinolin-6-yl)tetrazolo[1,5-a]pyrazin-8-amine
CID 168759013
6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 137372437
8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine
CID 168758989
5-[6-amino-2-[4-(dimethylamino)phenyl]-5-fluoropyrimidin-4-yl]-1-methylpyridin-2-one
CID 175582360
5-(4-fluorophenyl)-3-methyltriazol-4-amine
CID 83637005
3-amino-5-(4-fluorophenyl)-6-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 91173531
6-(4-fluorophenyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 137372632
5-[8-amino-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-3-methyl-1H-pyridin-2-one
CID 137372612

Frequently Asked Questions

What is the IUPAC name of 5-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]-1-methylpyridin-2-one (CID 168758976) is 5-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]-1-methylpyridin-2-one is Cn1cc(-c2c(-c3ccc(F)cc3)nc(N)c3nnnn23)ccc1=O.
What is the InChIKey of 5-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]-1-methylpyridin-2-one?
The InChIKey is PKEOTZXEBHKDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN7O/c1-23-8-10(4-7-12(23)25)14-13(9-2-5-11(17)6-3-9)19-15(18)16-20-21-22-24(14)16/h2-8H,1H3,(H2,18,19).
What are the key properties of 5-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]-1-methylpyridin-2-one?
5-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]-1-methylpyridin-2-one has a molecular weight of 337.32 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 168758976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).