2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]triazol-1-yl]-2-(4-fluorophenyl)acetamide

C15H16FN7O — CID 146135411

IUPAC2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]triazol-1-yl]-2-(4-fluorophenyl)acetamide
SMILESCc1nc(C)n(Cc2cn(C(C(N)=O)c3ccc(F)cc3)nn2)n1
InChIInChI=1S/C15H16FN7O/c1-9-18-10(2)22(20-9)7-13-8-23(21-19-13)14(15(17)24)11-3-5-12(16)6-4-11/h3-6,8,14H,7H2,1-2H3,(H2,17,24)
InChIKeyLWMFUIPECUFBPL-UHFFFAOYSA-N
MW329.34 g/mol
LogP0.75
Rot. Bonds5

About 2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]triazol-1-yl]-2-(4-fluorophenyl)acetamide

2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]triazol-1-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 146135411) has the molecular formula C15H16FN7O and a molecular weight of 329.34 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]triazol-1-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]triazol-1-yl]-2-(4-fluorophenyl)acetamide
PubChem CID146135411
Molecular FormulaC15H16FN7O
Molecular Weight329.34 g/mol
Exact Mass329.14
IUPAC Name2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]triazol-1-yl]-2-(4-fluorophenyl)acetamide
SMILESCc1nc(C)n(Cc2cn(C(C(N)=O)c3ccc(F)cc3)nn2)n1
InChIInChI=1S/C15H16FN7O/c1-9-18-10(2)22(20-9)7-13-8-23(21-19-13)14(15(17)24)11-3-5-12(16)6-4-11/h3-6,8,14H,7H2,1-2H3,(H2,17,24)
InChIKeyLWMFUIPECUFBPL-UHFFFAOYSA-N
XLogP0.75
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]triazol-1-yl]-2-(4-fluorophenyl)acetamide with MolForge

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Related Compounds

(2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-2-(4-fluorophenyl)acetamide
CID 95315338
(2S)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-2-(4-fluorophenyl)acetamide
CID 95315339
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458944
2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)acetamide
CID 167967578
5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-fluorobenzenecarbothioamide
CID 107879650
1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutan-2-one
CID 79395570
9-[[1-[(1R)-1-(4-fluorophenyl)propyl]triazol-4-yl]methyl]purin-6-amine
CID 167910593
2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
CID 82114619
4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-amine
CID 61320183
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 61347883
[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62446597
(2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide
CID 95781739

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]triazol-1-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]triazol-1-yl]-2-(4-fluorophenyl)acetamide (CID 146135411) is 2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]triazol-1-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]triazol-1-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]triazol-1-yl]-2-(4-fluorophenyl)acetamide is Cc1nc(C)n(Cc2cn(C(C(N)=O)c3ccc(F)cc3)nn2)n1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]triazol-1-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is LWMFUIPECUFBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN7O/c1-9-18-10(2)22(20-9)7-13-8-23(21-19-13)14(15(17)24)11-3-5-12(16)6-4-11/h3-6,8,14H,7H2,1-2H3,(H2,17,24).
What are the key properties of 2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]triazol-1-yl]-2-(4-fluorophenyl)acetamide?
2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]triazol-1-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 329.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]triazol-1-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 146135411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).