5-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C12H20N6O — CID 79653222

IUPAC5-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCN(Cc1cc(=O)n2[nH]cnc2n1)CC(C)(C)CN
InChIInChI=1S/C12H20N6O/c1-12(2,6-13)7-17(3)5-9-4-10(19)18-11(16-9)14-8-15-18/h4,8H,5-7,13H2,1-3H3,(H,14,15,16)
InChIKeyAJSWQXDJTGMGAV-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.17
Rot. Bonds5

About 5-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 79653222) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID79653222
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name5-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCN(Cc1cc(=O)n2[nH]cnc2n1)CC(C)(C)CN
InChIInChI=1S/C12H20N6O/c1-12(2,6-13)7-17(3)5-9-4-10(19)18-11(16-9)14-8-15-18/h4,8H,5-7,13H2,1-3H3,(H,14,15,16)
InChIKeyAJSWQXDJTGMGAV-UHFFFAOYSA-N
XLogP-0.17
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 79653222) is 5-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CN(Cc1cc(=O)n2[nH]cnc2n1)CC(C)(C)CN.
What is the InChIKey of 5-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AJSWQXDJTGMGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-12(2,6-13)7-17(3)5-9-4-10(19)18-11(16-9)14-8-15-18/h4,8H,5-7,13H2,1-3H3,(H,14,15,16).
What are the key properties of 5-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 264.33 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 79653222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).