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

C8H9N5O — CID 84663130

IUPAC5-amino-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNc1cc(=O)n2[nH]c(C3CC3)nc2n1
InChIInChI=1S/C8H9N5O/c9-5-3-6(14)13-8(10-5)11-7(12-13)4-1-2-4/h3-4H,1-2,9H2,(H,10,11,12)
InChIKeyDZOQKZOEIJKONJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.12
Rot. Bonds1

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

5-amino-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 84663130) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-amino-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID84663130
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name5-amino-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNc1cc(=O)n2[nH]c(C3CC3)nc2n1
InChIInChI=1S/C8H9N5O/c9-5-3-6(14)13-8(10-5)11-7(12-13)4-1-2-4/h3-4H,1-2,9H2,(H,10,11,12)
InChIKeyDZOQKZOEIJKONJ-UHFFFAOYSA-N
XLogP-0.12
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-amino-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 84663130) is 5-amino-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-amino-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-amino-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Nc1cc(=O)n2[nH]c(C3CC3)nc2n1.
What is the InChIKey of 5-amino-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DZOQKZOEIJKONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c9-5-3-6(14)13-8(10-5)11-7(12-13)4-1-2-4/h3-4H,1-2,9H2,(H,10,11,12).
What are the key properties of 5-amino-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-amino-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 191.19 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 84663130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).