1-(5-amino-1,2,4-triazol-1-yl)propan-1-one

C5H8N4O — CID 23272117

IUPAC1-(5-amino-1,2,4-triazol-1-yl)propan-1-one
SMILESCCC(=O)n1ncnc1N
InChIInChI=1S/C5H8N4O/c1-2-4(10)9-5(6)7-3-8-9/h3H,2H2,1H3,(H2,6,7,8)
InChIKeyLDRRKZUDAODKQR-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.09
Rot. Bonds1

About 1-(5-amino-1,2,4-triazol-1-yl)propan-1-one

1-(5-amino-1,2,4-triazol-1-yl)propan-1-one (PubChem CID 23272117) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 1-(5-amino-1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-amino-1,2,4-triazol-1-yl)propan-1-one
PubChem CID23272117
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name1-(5-amino-1,2,4-triazol-1-yl)propan-1-one
SMILESCCC(=O)n1ncnc1N
InChIInChI=1S/C5H8N4O/c1-2-4(10)9-5(6)7-3-8-9/h3H,2H2,1H3,(H2,6,7,8)
InChIKeyLDRRKZUDAODKQR-UHFFFAOYSA-N
XLogP-0.09
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-(5-amino-1,2,4-triazol-1-yl)propan-1-one (CID 23272117) is 1-(5-amino-1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(5-amino-1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-(5-amino-1,2,4-triazol-1-yl)propan-1-one is CCC(=O)n1ncnc1N.
What is the InChIKey of 1-(5-amino-1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is LDRRKZUDAODKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-2-4(10)9-5(6)7-3-8-9/h3H,2H2,1H3,(H2,6,7,8).
What are the key properties of 1-(5-amino-1,2,4-triazol-1-yl)propan-1-one?
1-(5-amino-1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 140.15 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 23272117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).