2-amino-6-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C13H13N5O — CID 620433

IUPAC2-amino-6-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(N)[nH]n2c(=O)c1Cc1ccccc1
InChIInChI=1S/C13H13N5O/c1-8-10(7-9-5-3-2-4-6-9)11(19)18-13(15-8)16-12(14)17-18/h2-6H,7H2,1H3,(H3,14,15,16,17)
InChIKeyMKNVASRDFGQQFN-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.90
Rot. Bonds2

About 2-amino-6-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-amino-6-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 620433) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-amino-6-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID620433
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-amino-6-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(N)[nH]n2c(=O)c1Cc1ccccc1
InChIInChI=1S/C13H13N5O/c1-8-10(7-9-5-3-2-4-6-9)11(19)18-13(15-8)16-12(14)17-18/h2-6H,7H2,1H3,(H3,14,15,16,17)
InChIKeyMKNVASRDFGQQFN-UHFFFAOYSA-N
XLogP0.90
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-6-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 620433) is 2-amino-6-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(N)[nH]n2c(=O)c1Cc1ccccc1.
What is the InChIKey of 2-amino-6-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MKNVASRDFGQQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-10(7-9-5-3-2-4-6-9)11(19)18-13(15-8)16-12(14)17-18/h2-6H,7H2,1H3,(H3,14,15,16,17).
What are the key properties of 2-amino-6-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-6-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 255.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 620433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).