N-[pyridin-3-yl(triazol-1-yl)methyl]acetamide

C10H11N5O — CID 91555217

IUPACN-[pyridin-3-yl(triazol-1-yl)methyl]acetamide
SMILESCC(=O)NC(c1cccnc1)n1ccnn1
InChIInChI=1S/C10H11N5O/c1-8(16)13-10(15-6-5-12-14-15)9-3-2-4-11-7-9/h2-7,10H,1H3,(H,13,16)
InChIKeyMFOYNUWPJYYTHI-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.36
Rot. Bonds3

About N-[pyridin-3-yl(triazol-1-yl)methyl]acetamide

N-[pyridin-3-yl(triazol-1-yl)methyl]acetamide (PubChem CID 91555217) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[pyridin-3-yl(triazol-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[pyridin-3-yl(triazol-1-yl)methyl]acetamide
PubChem CID91555217
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC NameN-[pyridin-3-yl(triazol-1-yl)methyl]acetamide
SMILESCC(=O)NC(c1cccnc1)n1ccnn1
InChIInChI=1S/C10H11N5O/c1-8(16)13-10(15-6-5-12-14-15)9-3-2-4-11-7-9/h2-7,10H,1H3,(H,13,16)
InChIKeyMFOYNUWPJYYTHI-UHFFFAOYSA-N
XLogP0.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2-phenyl-1,1-dipyridin-3-yl-2-(triazol-1-yl)ethanol
CID 66962339
3-oxo-2-pyridin-3-ylbutanamide
CID 166794153
methyl 3-oxo-2-pyridin-3-ylbutanoate
CID 54382614
1-[(1S)-1-phenylethyl]triazole
CID 175706857
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
1-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 97089227
3-[2,2-dipyridin-3-yl-1-(triazol-1-yl)ethyl]aniline
CID 67987247
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
(4S)-4-amino-4-pyridin-3-ylbutan-2-one
CID 59038480
2-pyridin-3-ylpropanehydrazide
CID 116843938
(2R)-2-amino-3,3-dimethyl-N-(1-pyridin-3-ylethyl)butanamide
CID 103928477

Frequently Asked Questions

What is the IUPAC name of N-[pyridin-3-yl(triazol-1-yl)methyl]acetamide?
The IUPAC name of N-[pyridin-3-yl(triazol-1-yl)methyl]acetamide (CID 91555217) is N-[pyridin-3-yl(triazol-1-yl)methyl]acetamide.
What is the SMILES notation for N-[pyridin-3-yl(triazol-1-yl)methyl]acetamide?
The canonical SMILES for N-[pyridin-3-yl(triazol-1-yl)methyl]acetamide is CC(=O)NC(c1cccnc1)n1ccnn1.
What is the InChIKey of N-[pyridin-3-yl(triazol-1-yl)methyl]acetamide?
The InChIKey is MFOYNUWPJYYTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-8(16)13-10(15-6-5-12-14-15)9-3-2-4-11-7-9/h2-7,10H,1H3,(H,13,16).
What are the key properties of N-[pyridin-3-yl(triazol-1-yl)methyl]acetamide?
N-[pyridin-3-yl(triazol-1-yl)methyl]acetamide has a molecular weight of 217.23 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyridin-3-yl(triazol-1-yl)methyl]acetamide is sourced from PubChem (CID 91555217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).