5-[(3,5-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C12H18N6O — CID 63873527

IUPAC5-[(3,5-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC1CN(Cc2cc(=O)n3[nH]cnc3n2)CC(C)N1
InChIInChI=1S/C12H18N6O/c1-8-4-17(5-9(2)15-8)6-10-3-11(19)18-12(16-10)13-7-14-18/h3,7-9,15H,4-6H2,1-2H3,(H,13,14,16)
InChIKeyRNFRFGFHZMEXMT-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.40
Rot. Bonds2

About 5-[(3,5-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[(3,5-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 63873527) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-[(3,5-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(3,5-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID63873527
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name5-[(3,5-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC1CN(Cc2cc(=O)n3[nH]cnc3n2)CC(C)N1
InChIInChI=1S/C12H18N6O/c1-8-4-17(5-9(2)15-8)6-10-3-11(19)18-12(16-10)13-7-14-18/h3,7-9,15H,4-6H2,1-2H3,(H,13,14,16)
InChIKeyRNFRFGFHZMEXMT-UHFFFAOYSA-N
XLogP-0.40
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(3,5-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 63873527) is 5-[(3,5-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(3,5-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(3,5-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC1CN(Cc2cc(=O)n3[nH]cnc3n2)CC(C)N1.
What is the InChIKey of 5-[(3,5-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RNFRFGFHZMEXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8-4-17(5-9(2)15-8)6-10-3-11(19)18-12(16-10)13-7-14-18/h3,7-9,15H,4-6H2,1-2H3,(H,13,14,16).
What are the key properties of 5-[(3,5-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[(3,5-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 262.32 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 63873527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).