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

C14H18FN5O — CID 106227941

IUPAC2-[4-(1-aminopropyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCC(N)c1cn(CC(=O)NCc2ccccc2F)nn1
InChIInChI=1S/C14H18FN5O/c1-2-12(16)13-8-20(19-18-13)9-14(21)17-7-10-5-3-4-6-11(10)15/h3-6,8,12H,2,7,9,16H2,1H3,(H,17,21)
InChIKeyGNPAKIZOTBXJFZ-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.14
Rot. Bonds6

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

2-[4-(1-aminopropyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 106227941) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[4-(1-aminopropyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(1-aminopropyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID106227941
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name2-[4-(1-aminopropyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCC(N)c1cn(CC(=O)NCc2ccccc2F)nn1
InChIInChI=1S/C14H18FN5O/c1-2-12(16)13-8-20(19-18-13)9-14(21)17-7-10-5-3-4-6-11(10)15/h3-6,8,12H,2,7,9,16H2,1H3,(H,17,21)
InChIKeyGNPAKIZOTBXJFZ-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-aminopropyl)triazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 106227465
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 114419929
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 106227951
2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 106228496
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-bromo-2-pyridinyl)acetamide
CID 106227521
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 106228283
2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 106227786
N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112529386
2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 55035632
(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide
CID 79025489
2-(4-acetamidotriazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 112529383

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopropyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(1-aminopropyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide (CID 106227941) is 2-[4-(1-aminopropyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(1-aminopropyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(1-aminopropyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide is CCC(N)c1cn(CC(=O)NCc2ccccc2F)nn1.
What is the InChIKey of 2-[4-(1-aminopropyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is GNPAKIZOTBXJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-2-12(16)13-8-20(19-18-13)9-14(21)17-7-10-5-3-4-6-11(10)15/h3-6,8,12H,2,7,9,16H2,1H3,(H,17,21).
What are the key properties of 2-[4-(1-aminopropyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
2-[4-(1-aminopropyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 291.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminopropyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 106227941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).