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

C9H9N5O — CID 971081

IUPAC1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethanone
SMILESCC(=O)n1nc(-c2cccnc2)nc1N
InChIInChI=1S/C9H9N5O/c1-6(15)14-9(10)12-8(13-14)7-3-2-4-11-5-7/h2-5H,1H3,(H2,10,12,13)
InChIKeyGHPZRDCUYCXDBR-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.58
Rot. Bonds1

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

1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethanone (PubChem CID 971081) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethanone
PubChem CID971081
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethanone
SMILESCC(=O)n1nc(-c2cccnc2)nc1N
InChIInChI=1S/C9H9N5O/c1-6(15)14-9(10)12-8(13-14)7-3-2-4-11-5-7/h2-5H,1H3,(H2,10,12,13)
InChIKeyGHPZRDCUYCXDBR-UHFFFAOYSA-N
XLogP0.58
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethanone (CID 971081) is 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethanone is CC(=O)n1nc(-c2cccnc2)nc1N.
What is the InChIKey of 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethanone?
The InChIKey is GHPZRDCUYCXDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-6(15)14-9(10)12-8(13-14)7-3-2-4-11-5-7/h2-5H,1H3,(H2,10,12,13).
What are the key properties of 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethanone?
1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethanone has a molecular weight of 203.21 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 971081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).