2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide

C12H14FN5O — CID 114419929

IUPAC2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(N)c1cn(CC(=O)Nc2ccccc2F)nn1
InChIInChI=1S/C12H14FN5O/c1-8(14)11-6-18(17-16-11)7-12(19)15-10-5-3-2-4-9(10)13/h2-6,8H,7,14H2,1H3,(H,15,19)
InChIKeyBHALKSSVWKPUOO-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.08
Rot. Bonds4

About 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide

2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 114419929) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID114419929
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(N)c1cn(CC(=O)Nc2ccccc2F)nn1
InChIInChI=1S/C12H14FN5O/c1-8(14)11-6-18(17-16-11)7-12(19)15-10-5-3-2-4-9(10)13/h2-6,8H,7,14H2,1H3,(H,15,19)
InChIKeyBHALKSSVWKPUOO-UHFFFAOYSA-N
XLogP1.08
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 114420083
N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
CID 114419537
N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521311
2-[4-(1-aminoethyl)triazol-1-yl]-N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)acetamide
CID 114419583
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 106221500
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 66194658
2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 114419794
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675
2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
CID 114419901
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 106227595
2-[4-(1-aminoethyl)triazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 114419663
2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid
CID 96739590

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide (CID 114419929) is 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide is CC(N)c1cn(CC(=O)Nc2ccccc2F)nn1.
What is the InChIKey of 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is BHALKSSVWKPUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-8(14)11-6-18(17-16-11)7-12(19)15-10-5-3-2-4-9(10)13/h2-6,8H,7,14H2,1H3,(H,15,19).
What are the key properties of 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide?
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 263.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 114419929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).