1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine

C12H11FN6O — CID 79542695

IUPAC1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C12H11FN6O/c1-7-11(14)16-18-19(7)6-10-15-12(17-20-10)8-2-4-9(13)5-3-8/h2-5H,6,14H2,1H3
InChIKeyGMEUYELYLWGKEP-UHFFFAOYSA-N
MW274.26 g/mol
LogP1.41
Rot. Bonds3

About 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine

1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine (PubChem CID 79542695) has the molecular formula C12H11FN6O and a molecular weight of 274.26 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine
PubChem CID79542695
Molecular FormulaC12H11FN6O
Molecular Weight274.26 g/mol
Exact Mass274.10
IUPAC Name1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C12H11FN6O/c1-7-11(14)16-18-19(7)6-10-15-12(17-20-10)8-2-4-9(13)5-3-8/h2-5H,6,14H2,1H3
InChIKeyGMEUYELYLWGKEP-UHFFFAOYSA-N
XLogP1.41
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine
CID 79535777
5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79542300
(2S,6R)-4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine
CID 26493802
5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79541947
3-(4-fluorophenyl)-5-[2-(4-iodo-5-methylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 19326319
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908266
3-(4-fluorophenyl)-5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 30728444
1-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethanamine
CID 119920805
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propan-1-amine
CID 66218111
3-[(4-fluorophenyl)methyl]-6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one
CID 50787136
6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 30850166
6-(4-fluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077316

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine?
The IUPAC name of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine (CID 79542695) is 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine is Cc1c(N)nnn1Cc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine?
The InChIKey is GMEUYELYLWGKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN6O/c1-7-11(14)16-18-19(7)6-10-15-12(17-20-10)8-2-4-9(13)5-3-8/h2-5H,6,14H2,1H3.
What are the key properties of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine?
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine has a molecular weight of 274.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine is sourced from PubChem (CID 79542695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).