N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide

C10H11N5O2 — CID 154862718

IUPACN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H11N5O2/c16-9(4-7-2-1-3-11-5-7)12-6-8-13-10(17)15-14-8/h1-3,5H,4,6H2,(H,12,16)(H2,13,14,15,17)
InChIKeyOFJLEJXAKHSPNX-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.65
Rot. Bonds4

About N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide

N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide (PubChem CID 154862718) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide
PubChem CID154862718
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC NameN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H11N5O2/c16-9(4-7-2-1-3-11-5-7)12-6-8-13-10(17)15-14-8/h1-3,5H,4,6H2,(H,12,16)(H2,13,14,15,17)
InChIKeyOFJLEJXAKHSPNX-UHFFFAOYSA-N
XLogP-0.65
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 79529546
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 62688839
N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110496431
6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410705
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
N-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide
CID 63900504
5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099829
N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 27568019
CID 66868100
CID 66868100
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
CID 142612479
N-(pyridin-3-ylmethyl)carbamate
CID 19082872

Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide (CID 154862718) is N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)NCc1n[nH]c(=O)[nH]1.
What is the InChIKey of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide?
The InChIKey is OFJLEJXAKHSPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c16-9(4-7-2-1-3-11-5-7)12-6-8-13-10(17)15-14-8/h1-3,5H,4,6H2,(H,12,16)(H2,13,14,15,17).
What are the key properties of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide?
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide has a molecular weight of 233.23 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 154862718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).