2-(5-amino-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C10H12N6O2 — CID 55118532

IUPAC2-(5-amino-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESNc1ccc(=O)n(CC(=O)NCc2ncn[nH]2)c1
InChIInChI=1S/C10H12N6O2/c11-7-1-2-10(18)16(4-7)5-9(17)12-3-8-13-6-14-15-8/h1-2,4,6H,3,5,11H2,(H,12,17)(H,13,14,15)
InChIKeyQKUCHYONPSVIOA-UHFFFAOYSA-N
MW248.25 g/mol
LogP-1.13
Rot. Bonds4

About 2-(5-amino-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(5-amino-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 55118532) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID55118532
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name2-(5-amino-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESNc1ccc(=O)n(CC(=O)NCc2ncn[nH]2)c1
InChIInChI=1S/C10H12N6O2/c11-7-1-2-10(18)16(4-7)5-9(17)12-3-8-13-6-14-15-8/h1-2,4,6H,3,5,11H2,(H,12,17)(H,13,14,15)
InChIKeyQKUCHYONPSVIOA-UHFFFAOYSA-N
XLogP-1.13
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(5-amino-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 55118532) is 2-(5-amino-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(5-amino-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is Nc1ccc(=O)n(CC(=O)NCc2ncn[nH]2)c1.
What is the InChIKey of 2-(5-amino-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is QKUCHYONPSVIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c11-7-1-2-10(18)16(4-7)5-9(17)12-3-8-13-6-14-15-8/h1-2,4,6H,3,5,11H2,(H,12,17)(H,13,14,15).
What are the key properties of 2-(5-amino-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(5-amino-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 248.25 g/mol, XLogP of -1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 55118532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).