2-amino-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C7H9N5O — CID 50987841

IUPAC2-amino-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(N)nc2n1
InChIInChI=1S/C7H9N5O/c1-2-4-3-5(13)12-7(9-4)10-6(8)11-12/h3H,2H2,1H3,(H3,8,9,10,11)
InChIKeyTTZGWBGIWYZODB-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.44
Rot. Bonds1

About 2-amino-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-amino-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 50987841) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-amino-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID50987841
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name2-amino-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(N)nc2n1
InChIInChI=1S/C7H9N5O/c1-2-4-3-5(13)12-7(9-4)10-6(8)11-12/h3H,2H2,1H3,(H3,8,9,10,11)
InChIKeyTTZGWBGIWYZODB-UHFFFAOYSA-N
XLogP-0.44
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 50987841) is 2-amino-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1cc(=O)n2[nH]c(N)nc2n1.
What is the InChIKey of 2-amino-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is TTZGWBGIWYZODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-2-4-3-5(13)12-7(9-4)10-6(8)11-12/h3H,2H2,1H3,(H3,8,9,10,11).
What are the key properties of 2-amino-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 179.18 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 50987841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).