1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(6-methylpyrazin-2-yl)ethanone

C16H14FN5O — CID 58191728

IUPAC1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(6-methylpyrazin-2-yl)ethanone
SMILESCc1cncc(CC(=O)c2nnn(-c3ccc(F)cc3)c2C)n1
InChIInChI=1S/C16H14FN5O/c1-10-8-18-9-13(19-10)7-15(23)16-11(2)22(21-20-16)14-5-3-12(17)4-6-14/h3-6,8-9H,7H2,1-2H3
InChIKeyLLNVHZZWFKNLTI-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.24
Rot. Bonds4

About 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(6-methylpyrazin-2-yl)ethanone

1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(6-methylpyrazin-2-yl)ethanone (PubChem CID 58191728) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(6-methylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(6-methylpyrazin-2-yl)ethanone
PubChem CID58191728
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(6-methylpyrazin-2-yl)ethanone
SMILESCc1cncc(CC(=O)c2nnn(-c3ccc(F)cc3)c2C)n1
InChIInChI=1S/C16H14FN5O/c1-10-8-18-9-13(19-10)7-15(23)16-11(2)22(21-20-16)14-5-3-12(17)4-6-14/h3-6,8-9H,7H2,1-2H3
InChIKeyLLNVHZZWFKNLTI-UHFFFAOYSA-N
XLogP2.24
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]prop-2-en-1-one
CID 139051728
(E)-3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]prop-2-en-1-one
CID 139051727
1-(4-fluorophenyl)-5-methyl-N-(2-methylsulfanylethyl)triazole-4-carboxamide
CID 86928675
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
1-(4-bromophenyl)-N-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858215
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
N-[4-(4-fluorophenoxy)butyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 55598581
1-(4-fluorophenyl)-5-methyl-N-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide
CID 86942171
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide
CID 4874239
1-(4-fluorophenyl)-5-methyl-N-[(4-methylpiperidin-4-yl)methyl]triazole-4-carboxamide
CID 167875511
2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone
CID 146938095

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(6-methylpyrazin-2-yl)ethanone?
The IUPAC name of 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(6-methylpyrazin-2-yl)ethanone (CID 58191728) is 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(6-methylpyrazin-2-yl)ethanone.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(6-methylpyrazin-2-yl)ethanone?
The canonical SMILES for 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(6-methylpyrazin-2-yl)ethanone is Cc1cncc(CC(=O)c2nnn(-c3ccc(F)cc3)c2C)n1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(6-methylpyrazin-2-yl)ethanone?
The InChIKey is LLNVHZZWFKNLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-10-8-18-9-13(19-10)7-15(23)16-11(2)22(21-20-16)14-5-3-12(17)4-6-14/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(6-methylpyrazin-2-yl)ethanone?
1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(6-methylpyrazin-2-yl)ethanone has a molecular weight of 311.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(6-methylpyrazin-2-yl)ethanone is sourced from PubChem (CID 58191728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).