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

C7H12N6O2 — CID 61017113

IUPAC2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C7H12N6O2/c1-9-5(14)2-10-6(15)3-13-4-11-7(8)12-13/h4H,2-3H2,1H3,(H2,8,12)(H,9,14)(H,10,15)
InChIKeyBLJLFNKSWAXCSA-UHFFFAOYSA-N
MW212.21 g/mol
LogP-2.28
Rot. Bonds4

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

2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-methylacetamide (PubChem CID 61017113) has the molecular formula C7H12N6O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-methylacetamide
PubChem CID61017113
Molecular FormulaC7H12N6O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C7H12N6O2/c1-9-5(14)2-10-6(15)3-13-4-11-7(8)12-13/h4H,2-3H2,1H3,(H2,8,12)(H,9,14)(H,10,15)
InChIKeyBLJLFNKSWAXCSA-UHFFFAOYSA-N
XLogP-2.28
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-2.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-methylacetamide (CID 61017113) is 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-methylacetamide is CNC(=O)CNC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-methylacetamide?
The InChIKey is BLJLFNKSWAXCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O2/c1-9-5(14)2-10-6(15)3-13-4-11-7(8)12-13/h4H,2-3H2,1H3,(H2,8,12)(H,9,14)(H,10,15).
What are the key properties of 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-methylacetamide?
2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-methylacetamide has a molecular weight of 212.21 g/mol, XLogP of -2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-methylacetamide is sourced from PubChem (CID 61017113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).