2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide

C10H11N5O — CID 43707110

IUPAC2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESNCC(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C10H11N5O/c11-5-10(16)14-8-3-1-2-4-9(8)15-7-12-6-13-15/h1-4,6-7H,5,11H2,(H,14,16)
InChIKeyIJQAWZIXCJPWOE-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.16
Rot. Bonds3

About 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide

2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide (PubChem CID 43707110) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
PubChem CID43707110
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESNCC(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C10H11N5O/c11-5-10(16)14-8-3-1-2-4-9(8)15-7-12-6-13-15/h1-4,6-7H,5,11H2,(H,14,16)
InChIKeyIJQAWZIXCJPWOE-UHFFFAOYSA-N
XLogP0.16
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide (CID 43707110) is 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide is NCC(=O)Nc1ccccc1-n1cncn1.
What is the InChIKey of 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The InChIKey is IJQAWZIXCJPWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-5-10(16)14-8-3-1-2-4-9(8)15-7-12-6-13-15/h1-4,6-7H,5,11H2,(H,14,16).
What are the key properties of 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide?
2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide has a molecular weight of 217.23 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 43707110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).