2-(3-amino-1,2,4-triazol-1-yl)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide

C12H16N6O2 — CID 61103735

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
SMILESCCCn1cc(NC(=O)Cn2cnc(N)n2)ccc1=O
InChIInChI=1S/C12H16N6O2/c1-2-5-17-6-9(3-4-11(17)20)15-10(19)7-18-8-14-12(13)16-18/h3-4,6,8H,2,5,7H2,1H3,(H2,13,16)(H,15,19)
InChIKeyOYYFAUGXQGXGKY-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.07
Rot. Bonds5

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide (PubChem CID 61103735) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
PubChem CID61103735
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
SMILESCCCn1cc(NC(=O)Cn2cnc(N)n2)ccc1=O
InChIInChI=1S/C12H16N6O2/c1-2-5-17-6-9(3-4-11(17)20)15-10(19)7-18-8-14-12(13)16-18/h3-4,6,8H,2,5,7H2,1H3,(H2,13,16)(H,15,19)
InChIKeyOYYFAUGXQGXGKY-UHFFFAOYSA-N
XLogP0.07
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide (CID 61103735) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide is CCCn1cc(NC(=O)Cn2cnc(N)n2)ccc1=O.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide?
The InChIKey is OYYFAUGXQGXGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-2-5-17-6-9(3-4-11(17)20)15-10(19)7-18-8-14-12(13)16-18/h3-4,6,8H,2,5,7H2,1H3,(H2,13,16)(H,15,19).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide has a molecular weight of 276.30 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide is sourced from PubChem (CID 61103735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).