3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C11H13N5O2 — CID 54885098

IUPAC3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESO=C(CCn1ccccc1=O)NCc1ncn[nH]1
InChIInChI=1S/C11H13N5O2/c17-10(12-7-9-13-8-14-15-9)4-6-16-5-2-1-3-11(16)18/h1-3,5,8H,4,6-7H2,(H,12,17)(H,13,14,15)
InChIKeySVODXFNCZDUNOI-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.33
Rot. Bonds5

About 3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 54885098) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID54885098
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESO=C(CCn1ccccc1=O)NCc1ncn[nH]1
InChIInChI=1S/C11H13N5O2/c17-10(12-7-9-13-8-14-15-9)4-6-16-5-2-1-3-11(16)18/h1-3,5,8H,4,6-7H2,(H,12,17)(H,13,14,15)
InChIKeySVODXFNCZDUNOI-UHFFFAOYSA-N
XLogP-0.33
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 54885098) is 3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is O=C(CCn1ccccc1=O)NCc1ncn[nH]1.
What is the InChIKey of 3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is SVODXFNCZDUNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c17-10(12-7-9-13-8-14-15-9)4-6-16-5-2-1-3-11(16)18/h1-3,5,8H,4,6-7H2,(H,12,17)(H,13,14,15).
What are the key properties of 3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 247.26 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 54885098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).