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

C10H14N4O — CID 53391660

IUPAC2-tert-butyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C(C)(C)C)nc2n1
InChIInChI=1S/C10H14N4O/c1-6-5-7(15)14-9(11-6)12-8(13-14)10(2,3)4/h5H,1-4H3,(H,11,12,13)
InChIKeyYDBRJSLGRXDCLE-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.02
Rot. Bonds

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

2-tert-butyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 53391660) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID53391660
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-tert-butyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C(C)(C)C)nc2n1
InChIInChI=1S/C10H14N4O/c1-6-5-7(15)14-9(11-6)12-8(13-14)10(2,3)4/h5H,1-4H3,(H,11,12,13)
InChIKeyYDBRJSLGRXDCLE-UHFFFAOYSA-N
XLogP1.02
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-tert-butyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 53391660) is 2-tert-butyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-tert-butyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-tert-butyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C(C)(C)C)nc2n1.
What is the InChIKey of 2-tert-butyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YDBRJSLGRXDCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6-5-7(15)14-9(11-6)12-8(13-14)10(2,3)4/h5H,1-4H3,(H,11,12,13).
What are the key properties of 2-tert-butyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-tert-butyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 206.25 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 53391660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).