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

C12H11N5O — CID 14547529

IUPAC2-anilino-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(Nc3ccccc3)nc2n1
InChIInChI=1S/C12H11N5O/c1-8-7-10(18)17-12(13-8)15-11(16-17)14-9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15,16)
InChIKeyWXHGAYVTIJSJGD-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.47
Rot. Bonds2

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

2-anilino-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 14547529) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-anilino-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID14547529
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-anilino-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(Nc3ccccc3)nc2n1
InChIInChI=1S/C12H11N5O/c1-8-7-10(18)17-12(13-8)15-11(16-17)14-9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15,16)
InChIKeyWXHGAYVTIJSJGD-UHFFFAOYSA-N
XLogP1.47
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-anilino-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 14547529) is 2-anilino-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-anilino-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(Nc3ccccc3)nc2n1.
What is the InChIKey of 2-anilino-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WXHGAYVTIJSJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-8-7-10(18)17-12(13-8)15-11(16-17)14-9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15,16).
What are the key properties of 2-anilino-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-anilino-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 241.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 14547529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).