2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide

C10H11FN6O — CID 113314224

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide
SMILESNCc1cn(CC(=O)Nc2ccc(F)cn2)nn1
InChIInChI=1S/C10H11FN6O/c11-7-1-2-9(13-4-7)14-10(18)6-17-5-8(3-12)15-16-17/h1-2,4-5H,3,6,12H2,(H,13,14,18)
InChIKeyNWEVYUMYQPKHHK-UHFFFAOYSA-N
MW250.24 g/mol
LogP-0.09
Rot. Bonds4

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

2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide (PubChem CID 113314224) has the molecular formula C10H11FN6O and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide
PubChem CID113314224
Molecular FormulaC10H11FN6O
Molecular Weight250.24 g/mol
Exact Mass250.10
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide
SMILESNCc1cn(CC(=O)Nc2ccc(F)cn2)nn1
InChIInChI=1S/C10H11FN6O/c11-7-1-2-9(13-4-7)14-10(18)6-17-5-8(3-12)15-16-17/h1-2,4-5H,3,6,12H2,(H,13,14,18)
InChIKeyNWEVYUMYQPKHHK-UHFFFAOYSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 62054655
5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid
CID 115460248
2-[4-(aminomethyl)triazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107641680
2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 100830989
N-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide
CID 167957587
2-[4-(aminomethyl)triazol-1-yl]-1-(2,6-difluorophenyl)ethanone
CID 116599735
2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46868049
2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 62054464
2-[4-(aminomethyl)triazol-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide
CID 115459155
2-[4-(aminomethyl)triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 62053635
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-3-bromobenzoic acid
CID 115459835
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 116642027

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide (CID 113314224) is 2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide is NCc1cn(CC(=O)Nc2ccc(F)cn2)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide?
The InChIKey is NWEVYUMYQPKHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN6O/c11-7-1-2-9(13-4-7)14-10(18)6-17-5-8(3-12)15-16-17/h1-2,4-5H,3,6,12H2,(H,13,14,18).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide has a molecular weight of 250.24 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide is sourced from PubChem (CID 113314224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).