2-(3-amino-1,2,4-triazol-1-yl)-N-methylacetamide

C5H9N5O — CID 54595598

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C5H9N5O/c1-7-4(11)2-10-3-8-5(6)9-10/h3H,2H2,1H3,(H2,6,9)(H,7,11)
InChIKeySFTQAHBRUGJKHE-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.39
Rot. Bonds2

About 2-(3-amino-1,2,4-triazol-1-yl)-N-methylacetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-methylacetamide (PubChem CID 54595598) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-methylacetamide
PubChem CID54595598
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C5H9N5O/c1-7-4(11)2-10-3-8-5(6)9-10/h3H,2H2,1H3,(H2,6,9)(H,7,11)
InChIKeySFTQAHBRUGJKHE-UHFFFAOYSA-N
XLogP-1.39
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-methylacetamide (CID 54595598) is 2-(3-amino-1,2,4-triazol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-methylacetamide is CNC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-methylacetamide?
The InChIKey is SFTQAHBRUGJKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-7-4(11)2-10-3-8-5(6)9-10/h3H,2H2,1H3,(H2,6,9)(H,7,11).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-methylacetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-methylacetamide has a molecular weight of 155.16 g/mol, XLogP of -1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 54595598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).