N-(1-amino-2-methylpropan-2-yl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride

C12H18ClN5O2 — CID 119524897

About N-(1-amino-2-methylpropan-2-yl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride (PubChem CID 119524897) has the molecular formula C12H18ClN5O2 and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-(1-amino-2-methylpropan-2-yl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride
• PubChem CID: 119524897
• Molecular Formula: C12H18ClN5O2
• Molecular Weight: 299.76 g/mol
• Exact Mass: 299.11
• IUPAC Name: N-(1-amino-2-methylpropan-2-yl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride
• SMILES: CC(C)(CN)NC(=O)Cn1nc2ccccn2c1=O.Cl
• InChI: InChI=1S/C12H17N5O2.ClH/c1-12(2,8-13)14-10(18)7-17-11(19)16-6-4-3-5-9(16)15-17;/h3-6H,7-8,13H2,1-2H3,(H,14,18);1H
• InChIKey: DBVOWZCUPBWBCP-UHFFFAOYSA-N
• XLogP: -0.23
• TPSA: 94.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.76
LogP ≤ 5	-0.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride?

The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride (CID 119524897) is N-(1-amino-2-methylpropan-2-yl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride.

What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride?

The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride is CC(C)(CN)NC(=O)Cn1nc2ccccn2c1=O.Cl.

What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride?

The InChIKey is DBVOWZCUPBWBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2.ClH/c1-12(2,8-13)14-10(18)7-17-11(19)16-6-4-3-5-9(16)15-17;/h3-6H,7-8,13H2,1-2H3,(H,14,18);1H.

What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride?

N-(1-amino-2-methylpropan-2-yl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride has a molecular weight of 299.76 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-2-methylpropan-2-yl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119524897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).