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

C8H11N5O — CID 591751

IUPAC2-amino-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1cc(=O)n2[nH]c(N)nc2n1
InChIInChI=1S/C8H11N5O/c1-4(2)5-3-6(14)13-8(10-5)11-7(9)12-13/h3-4H,1-2H3,(H3,9,10,11,12)
InChIKeyHAXSUPPDUXYPOQ-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.12
Rot. Bonds1

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

2-amino-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 591751) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-amino-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID591751
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-amino-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1cc(=O)n2[nH]c(N)nc2n1
InChIInChI=1S/C8H11N5O/c1-4(2)5-3-6(14)13-8(10-5)11-7(9)12-13/h3-4H,1-2H3,(H3,9,10,11,12)
InChIKeyHAXSUPPDUXYPOQ-UHFFFAOYSA-N
XLogP0.12
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 591751) is 2-amino-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1cc(=O)n2[nH]c(N)nc2n1.
What is the InChIKey of 2-amino-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HAXSUPPDUXYPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-4(2)5-3-6(14)13-8(10-5)11-7(9)12-13/h3-4H,1-2H3,(H3,9,10,11,12).
What are the key properties of 2-amino-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 193.21 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 2-amino-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 591751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).