ethane;N-(1H-1,2,4-triazol-5-yl)acetamide

C6H12N4O — CID 90819023

IUPACethane;N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCC.CC(=O)Nc1ncn[nH]1
InChIInChI=1S/C4H6N4O.C2H6/c1-3(9)7-4-5-2-6-8-4;1-2/h2H,1H3,(H2,5,6,7,8,9);1-2H3
InChIKeyJHIXKZVMSDSRFI-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.79
Rot. Bonds1

About ethane;N-(1H-1,2,4-triazol-5-yl)acetamide

ethane;N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 90819023) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is ethane;N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Nameethane;N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID90819023
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Nameethane;N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCC.CC(=O)Nc1ncn[nH]1
InChIInChI=1S/C4H6N4O.C2H6/c1-3(9)7-4-5-2-6-8-4;1-2/h2H,1H3,(H2,5,6,7,8,9);1-2H3
InChIKeyJHIXKZVMSDSRFI-UHFFFAOYSA-N
XLogP0.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of ethane;N-(1H-1,2,4-triazol-5-yl)acetamide (CID 90819023) is ethane;N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for ethane;N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for ethane;N-(1H-1,2,4-triazol-5-yl)acetamide is CC.CC(=O)Nc1ncn[nH]1.
What is the InChIKey of ethane;N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is JHIXKZVMSDSRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O.C2H6/c1-3(9)7-4-5-2-6-8-4;1-2/h2H,1H3,(H2,5,6,7,8,9);1-2H3.
What are the key properties of ethane;N-(1H-1,2,4-triazol-5-yl)acetamide?
ethane;N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 156.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 90819023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).