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

C8H15N5O3S — CID 64629370

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide
SMILESCC(CS(C)(=O)=O)NC(=O)Cn1cnc(N)n1
InChIInChI=1S/C8H15N5O3S/c1-6(4-17(2,15)16)11-7(14)3-13-5-10-8(9)12-13/h5-6H,3-4H2,1-2H3,(H2,9,12)(H,11,14)
InChIKeyVWNZJBOWKYBQKC-UHFFFAOYSA-N
MW261.31 g/mol
LogP-1.59
Rot. Bonds5

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

2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide (PubChem CID 64629370) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide
PubChem CID64629370
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide
SMILESCC(CS(C)(=O)=O)NC(=O)Cn1cnc(N)n1
InChIInChI=1S/C8H15N5O3S/c1-6(4-17(2,15)16)11-7(14)3-13-5-10-8(9)12-13/h5-6H,3-4H2,1-2H3,(H2,9,12)(H,11,14)
InChIKeyVWNZJBOWKYBQKC-UHFFFAOYSA-N
XLogP-1.59
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide (CID 64629370) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide is CC(CS(C)(=O)=O)NC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide?
The InChIKey is VWNZJBOWKYBQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c1-6(4-17(2,15)16)11-7(14)3-13-5-10-8(9)12-13/h5-6H,3-4H2,1-2H3,(H2,9,12)(H,11,14).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide has a molecular weight of 261.31 g/mol, XLogP of -1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide is sourced from PubChem (CID 64629370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).