2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide

C10H14N6O — CID 177199219

IUPAC2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)Cn2cnc(C#N)n2)C1
InChIInChI=1S/C10H14N6O/c1-15-3-2-8(5-15)13-10(17)6-16-7-12-9(4-11)14-16/h7-8H,2-3,5-6H2,1H3,(H,13,17)
InChIKeyINOOBZHDZCRFKA-UHFFFAOYSA-N
MW234.26 g/mol
LogP-1.03
Rot. Bonds3

About 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide

2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide (PubChem CID 177199219) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide
PubChem CID177199219
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)Cn2cnc(C#N)n2)C1
InChIInChI=1S/C10H14N6O/c1-15-3-2-8(5-15)13-10(17)6-16-7-12-9(4-11)14-16/h7-8H,2-3,5-6H2,1H3,(H,13,17)
InChIKeyINOOBZHDZCRFKA-UHFFFAOYSA-N
XLogP-1.03
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide (CID 177199219) is 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide is CN1CCC(NC(=O)Cn2cnc(C#N)n2)C1.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide?
The InChIKey is INOOBZHDZCRFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-15-3-2-8(5-15)13-10(17)6-16-7-12-9(4-11)14-16/h7-8H,2-3,5-6H2,1H3,(H,13,17).
What are the key properties of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide?
2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide has a molecular weight of 234.26 g/mol, XLogP of -1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 177199219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).