2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide

C14H18FN5O — CID 116641755

IUPAC2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2cc(CCN)nn2)cc1F
InChIInChI=1S/C14H18FN5O/c1-10-2-3-11(6-13(10)15)7-17-14(21)9-20-8-12(4-5-16)18-19-20/h2-3,6,8H,4-5,7,9,16H2,1H3,(H,17,21)
InChIKeyRRMVTJIGUBJTKO-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.54
Rot. Bonds6

About 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide

2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide (PubChem CID 116641755) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
PubChem CID116641755
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2cc(CCN)nn2)cc1F
InChIInChI=1S/C14H18FN5O/c1-10-2-3-11(6-13(10)15)7-17-14(21)9-20-8-12(4-5-16)18-19-20/h2-3,6,8H,4-5,7,9,16H2,1H3,(H,17,21)
InChIKeyRRMVTJIGUBJTKO-UHFFFAOYSA-N
XLogP0.54
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 116642158
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62053793
N-[(4-fluoro-3-methylphenyl)methyl]-2-(4-formyltriazol-1-yl)acetamide
CID 66215194
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 34486049
2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide
CID 116642329
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 116642027
2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 116641828
6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide
CID 43471392
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 115458883
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 116642139
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 116642275

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide (CID 116641755) is 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2cc(CCN)nn2)cc1F.
What is the InChIKey of 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The InChIKey is RRMVTJIGUBJTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-10-2-3-11(6-13(10)15)7-17-14(21)9-20-8-12(4-5-16)18-19-20/h2-3,6,8H,4-5,7,9,16H2,1H3,(H,17,21).
What are the key properties of 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide has a molecular weight of 291.33 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 116641755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).