acetamide;1H-1,2,4-triazole

C4H8N4O — CID 90177509

IUPACacetamide;1H-1,2,4-triazole
SMILESCC(N)=O.c1nc[nH]n1
InChIInChI=1S/C2H3N3.C2H5NO/c1-3-2-5-4-1;1-2(3)4/h1-2H,(H,3,4,5);1H3,(H2,3,4)
InChIKeyUVRHOFOETXHPAU-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.70
Rot. Bonds

About acetamide;1H-1,2,4-triazole

acetamide;1H-1,2,4-triazole (PubChem CID 90177509) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is acetamide;1H-1,2,4-triazole.

Molecular Properties

Compound Nameacetamide;1H-1,2,4-triazole
PubChem CID90177509
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Nameacetamide;1H-1,2,4-triazole
SMILESCC(N)=O.c1nc[nH]n1
InChIInChI=1S/C2H3N3.C2H5NO/c1-3-2-5-4-1;1-2(3)4/h1-2H,(H,3,4,5);1H3,(H2,3,4)
InChIKeyUVRHOFOETXHPAU-UHFFFAOYSA-N
XLogP-0.70
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetamide;1H-1,2,4-triazole?
The IUPAC name of acetamide;1H-1,2,4-triazole (CID 90177509) is acetamide;1H-1,2,4-triazole.
What is the SMILES notation for acetamide;1H-1,2,4-triazole?
The canonical SMILES for acetamide;1H-1,2,4-triazole is CC(N)=O.c1nc[nH]n1.
What is the InChIKey of acetamide;1H-1,2,4-triazole?
The InChIKey is UVRHOFOETXHPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3.C2H5NO/c1-3-2-5-4-1;1-2(3)4/h1-2H,(H,3,4,5);1H3,(H2,3,4).
What are the key properties of acetamide;1H-1,2,4-triazole?
acetamide;1H-1,2,4-triazole has a molecular weight of 128.13 g/mol, XLogP of -0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;1H-1,2,4-triazole is sourced from PubChem (CID 90177509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).