2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide

C10H11FN6O — CID 114254952

IUPAC2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(-c2cncc(F)c2)nn1
InChIInChI=1S/C10H11FN6O/c11-7-1-9(5-13-3-7)17-6-8(15-16-17)4-14-10(18)2-12/h1,3,5-6H,2,4,12H2,(H,14,18)
InChIKeyVZBNGSJPQMRNRV-UHFFFAOYSA-N
MW250.24 g/mol
LogP-0.62
Rot. Bonds4

About 2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide

2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide (PubChem CID 114254952) has the molecular formula C10H11FN6O and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide
PubChem CID114254952
Molecular FormulaC10H11FN6O
Molecular Weight250.24 g/mol
Exact Mass250.10
IUPAC Name2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(-c2cncc(F)c2)nn1
InChIInChI=1S/C10H11FN6O/c11-7-1-9(5-13-3-7)17-6-8(15-16-17)4-14-10(18)2-12/h1,3,5-6H,2,4,12H2,(H,14,18)
InChIKeyVZBNGSJPQMRNRV-UHFFFAOYSA-N
XLogP-0.62
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(chloromethyl)triazol-1-yl]-5-fluoropyridine
CID 130496986
2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide
CID 114777919
2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide
CID 114778017
2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide
CID 114778051
2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide
CID 114778064
2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide
CID 114280351
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide
CID 121197969
2-amino-N-[[1-(3-chloro-2-methylphenyl)triazol-4-yl]methyl]acetamide
CID 114777897
2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide
CID 103481334
2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide
CID 114778570

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide (CID 114254952) is 2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide is NCC(=O)NCc1cn(-c2cncc(F)c2)nn1.
What is the InChIKey of 2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide?
The InChIKey is VZBNGSJPQMRNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN6O/c11-7-1-9(5-13-3-7)17-6-8(15-16-17)4-14-10(18)2-12/h1,3,5-6H,2,4,12H2,(H,14,18).
What are the key properties of 2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide has a molecular weight of 250.24 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114254952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).