2-(benzylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C13H13N5O — CID 935384

IUPAC2-(benzylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(NCc3ccccc3)nc2n1
InChIInChI=1S/C13H13N5O/c1-9-7-11(19)18-13(15-9)16-12(17-18)14-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,15,16,17)
InChIKeyWYKGSBSOUPEGGF-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.34
Rot. Bonds3

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

2-(benzylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 935384) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(benzylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(benzylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID935384
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-(benzylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(NCc3ccccc3)nc2n1
InChIInChI=1S/C13H13N5O/c1-9-7-11(19)18-13(15-9)16-12(17-18)14-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,15,16,17)
InChIKeyWYKGSBSOUPEGGF-UHFFFAOYSA-N
XLogP1.34
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(benzylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 935384) is 2-(benzylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(benzylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(benzylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(NCc3ccccc3)nc2n1.
What is the InChIKey of 2-(benzylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WYKGSBSOUPEGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-9-7-11(19)18-13(15-9)16-12(17-18)14-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-(benzylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(benzylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 255.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 935384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).