1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)ethanone

C10H10N4O — CID 828599

IUPAC1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)ethanone
SMILESCC(=O)n1nc(-c2ccccc2)nc1N
InChIInChI=1S/C10H10N4O/c1-7(15)14-10(11)12-9(13-14)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,13)
InChIKeyBVZXLAVNQAOTHA-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.19
Rot. Bonds1

About 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)ethanone

1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)ethanone (PubChem CID 828599) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)ethanone
PubChem CID828599
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)ethanone
SMILESCC(=O)n1nc(-c2ccccc2)nc1N
InChIInChI=1S/C10H10N4O/c1-7(15)14-10(11)12-9(13-14)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,13)
InChIKeyBVZXLAVNQAOTHA-UHFFFAOYSA-N
XLogP1.19
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)ethanone (CID 828599) is 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)ethanone is CC(=O)n1nc(-c2ccccc2)nc1N.
What is the InChIKey of 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)ethanone?
The InChIKey is BVZXLAVNQAOTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-7(15)14-10(11)12-9(13-14)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,13).
What are the key properties of 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)ethanone?
1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)ethanone has a molecular weight of 202.22 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 828599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).