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

C9H13N5O — CID 673166

IUPAC2-amino-5-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)(C)c1cc(=O)n2[nH]c(N)nc2n1
InChIInChI=1S/C9H13N5O/c1-9(2,3)5-4-6(15)14-8(11-5)12-7(10)13-14/h4H,1-3H3,(H3,10,11,12,13)
InChIKeyZHBYAXGJRJHLBV-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.30
Rot. Bonds

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

2-amino-5-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 673166) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-amino-5-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID673166
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-amino-5-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)(C)c1cc(=O)n2[nH]c(N)nc2n1
InChIInChI=1S/C9H13N5O/c1-9(2,3)5-4-6(15)14-8(11-5)12-7(10)13-14/h4H,1-3H3,(H3,10,11,12,13)
InChIKeyZHBYAXGJRJHLBV-UHFFFAOYSA-N
XLogP0.30
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 673166) is 2-amino-5-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)(C)c1cc(=O)n2[nH]c(N)nc2n1.
What is the InChIKey of 2-amino-5-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZHBYAXGJRJHLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-9(2,3)5-4-6(15)14-8(11-5)12-7(10)13-14/h4H,1-3H3,(H3,10,11,12,13).
What are the key properties of 2-amino-5-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-5-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 207.24 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 673166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).