N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide

C12H13FN4O — CID 165454549

IUPACN-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C12H13FN4O/c1-9(18)16(2)7-11-8-17(15-14-11)12-5-3-10(13)4-6-12/h3-6,8H,7H2,1-2H3
InChIKeySDVYKMZQKKTESA-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.38
Rot. Bonds3

About N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide

N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide (PubChem CID 165454549) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide
PubChem CID165454549
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC NameN-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C12H13FN4O/c1-9(18)16(2)7-11-8-17(15-14-11)12-5-3-10(13)4-6-12/h3-6,8H,7H2,1-2H3
InChIKeySDVYKMZQKKTESA-UHFFFAOYSA-N
XLogP1.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-chloro-4-methylphenyl)triazol-4-yl]methyl]-N-methylacetamide
CID 138051886
2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid
CID 83642133
N-[[1-(2,3-dichlorophenyl)triazol-4-yl]methyl]-N-methylacetamide
CID 154781376
N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]propan-2-amine
CID 66205038
3-[1-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167745
1-[1-(4-chlorophenyl)triazol-4-yl]propan-2-one
CID 117167684
4-[4-[[di(propan-2-yl)amino]methyl]triazol-1-yl]phenol
CID 154781974
1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperazine
CID 117167709
N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide
CID 111596473
2-[butan-2-yl-[(1-phenyltriazol-4-yl)methyl]amino]acetic acid;hydrochloride
CID 91646080
1-(4-fluorophenyl)-4-methylsulfanyltriazole
CID 143999627
2-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]triazole-4-carboxamide
CID 71856711

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide (CID 165454549) is N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1cn(-c2ccc(F)cc2)nn1.
What is the InChIKey of N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide?
The InChIKey is SDVYKMZQKKTESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-9(18)16(2)7-11-8-17(15-14-11)12-5-3-10(13)4-6-12/h3-6,8H,7H2,1-2H3.
What are the key properties of N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide?
N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide has a molecular weight of 248.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 165454549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).