7-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C14H13FN4O — CID 42585065

IUPAC7-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCC(C)c1nnc2c(=O)n(-c3ccc(F)cc3)ccn12
InChIInChI=1S/C14H13FN4O/c1-9(2)12-16-17-13-14(20)18(7-8-19(12)13)11-5-3-10(15)4-6-11/h3-9H,1-2H3
InChIKeySNKBYAREWSKMHD-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.14
Rot. Bonds2

About 7-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

7-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 42585065) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID42585065
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name7-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCC(C)c1nnc2c(=O)n(-c3ccc(F)cc3)ccn12
InChIInChI=1S/C14H13FN4O/c1-9(2)12-16-17-13-14(20)18(7-8-19(12)13)11-5-3-10(15)4-6-11/h3-9H,1-2H3
InChIKeySNKBYAREWSKMHD-UHFFFAOYSA-N
XLogP2.14
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3,4-difluorophenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 15988411
1-(2-fluorophenyl)-4-({5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetyl)piperazine
CID 25276816
3-ethyl-7-(3-fluorophenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 42585047
7-(4-fluorophenyl)-3-propyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 42585058
7-(4-fluorophenyl)-3-(m-tolyl)-[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
CID 42585567
7-(3-fluorophenyl)-3-methyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 45106030
N-[2-(1-cyclohexenyl)ethyl]-3-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]propanamide
CID 45106928
2-(5-tert-butyltetrazol-1-yl)-N-methyl-N-phenylacetamide
CID 47331001
1-[(1,3-dimethyl-1H-1,2,4-triazol-5-yl)methyl]quinoxalin-2(1H)-one
CID 72874806
1-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]quinoxalin-2(1H)-one
CID 72912189
3-cyclopropyl-N-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134800599
7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide
CID 166633438

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 42585065) is 7-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CC(C)c1nnc2c(=O)n(-c3ccc(F)cc3)ccn12.
What is the InChIKey of 7-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is SNKBYAREWSKMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-9(2)12-16-17-13-14(20)18(7-8-19(12)13)11-5-3-10(15)4-6-11/h3-9H,1-2H3.
What are the key properties of 7-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 272.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 42585065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).