2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide

C10H18FN5O — CID 114280351

IUPAC2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(CCCCCF)nn1
InChIInChI=1S/C10H18FN5O/c11-4-2-1-3-5-16-8-9(14-15-16)7-13-10(17)6-12/h8H,1-7,12H2,(H,13,17)
InChIKeyDQOMIOQZOCVIDP-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.01
Rot. Bonds8

About 2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide

2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide (PubChem CID 114280351) has the molecular formula C10H18FN5O and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide
PubChem CID114280351
Molecular FormulaC10H18FN5O
Molecular Weight243.29 g/mol
Exact Mass243.15
IUPAC Name2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(CCCCCF)nn1
InChIInChI=1S/C10H18FN5O/c11-4-2-1-3-5-16-8-9(14-15-16)7-13-10(17)6-12/h8H,1-7,12H2,(H,13,17)
InChIKeyDQOMIOQZOCVIDP-UHFFFAOYSA-N
XLogP-0.01
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide
CID 114778822
2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide
CID 114778162
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide
CID 114778652
2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide
CID 114778830
2-amino-N-[[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778664
2-amino-N-[[1-[2-(4-bromophenoxy)ethyl]triazol-4-yl]methyl]acetamide
CID 114778611
2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide
CID 114778434
4-[[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]methyl]benzamide
CID 114778729
2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778828
2-amino-N-[[1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778543

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide (CID 114280351) is 2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide is NCC(=O)NCc1cn(CCCCCF)nn1.
What is the InChIKey of 2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide?
The InChIKey is DQOMIOQZOCVIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN5O/c11-4-2-1-3-5-16-8-9(14-15-16)7-13-10(17)6-12/h8H,1-7,12H2,(H,13,17).
What are the key properties of 2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide has a molecular weight of 243.29 g/mol, XLogP of -0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114280351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).