2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide

C9H14N6O2 — CID 106249481

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)Cn2cnc(N)n2)C1=O
InChIInChI=1S/C9H14N6O2/c1-14-3-2-6(8(14)17)12-7(16)4-15-5-11-9(10)13-15/h5-6H,2-4H2,1H3,(H2,10,13)(H,12,16)
InChIKeyPJAGHIZNUVQVSC-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.79
Rot. Bonds3

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide (PubChem CID 106249481) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
PubChem CID106249481
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)Cn2cnc(N)n2)C1=O
InChIInChI=1S/C9H14N6O2/c1-14-3-2-6(8(14)17)12-7(16)4-15-5-11-9(10)13-15/h5-6H,2-4H2,1H3,(H2,10,13)(H,12,16)
InChIKeyPJAGHIZNUVQVSC-UHFFFAOYSA-N
XLogP-1.79
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide (CID 106249481) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide is CN1CCC(NC(=O)Cn2cnc(N)n2)C1=O.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
The InChIKey is PJAGHIZNUVQVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c1-14-3-2-6(8(14)17)12-7(16)4-15-5-11-9(10)13-15/h5-6H,2-4H2,1H3,(H2,10,13)(H,12,16).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide has a molecular weight of 238.25 g/mol, XLogP of -1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 106249481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).