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

C11H16N6O — CID 66283701

IUPAC7-(2,2-dimethylpiperazin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC1(C)CNCCN1c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C11H16N6O/c1-11(2)6-12-3-4-17(11)8-5-9-14-15-10(18)16(9)7-13-8/h5,7,12H,3-4,6H2,1-2H3,(H,15,18)
InChIKeyYRBXJAJCPZEMEO-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.39
Rot. Bonds1

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

7-(2,2-dimethylpiperazin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283701) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 7-(2,2-dimethylpiperazin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(2,2-dimethylpiperazin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283701
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name7-(2,2-dimethylpiperazin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC1(C)CNCCN1c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C11H16N6O/c1-11(2)6-12-3-4-17(11)8-5-9-14-15-10(18)16(9)7-13-8/h5,7,12H,3-4,6H2,1-2H3,(H,15,18)
InChIKeyYRBXJAJCPZEMEO-UHFFFAOYSA-N
XLogP-0.39
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(2,2-dimethylpiperazin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpiperazin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(2,2-dimethylpiperazin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283701) is 7-(2,2-dimethylpiperazin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(2,2-dimethylpiperazin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(2,2-dimethylpiperazin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CC1(C)CNCCN1c1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-(2,2-dimethylpiperazin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is YRBXJAJCPZEMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-11(2)6-12-3-4-17(11)8-5-9-14-15-10(18)16(9)7-13-8/h5,7,12H,3-4,6H2,1-2H3,(H,15,18).
What are the key properties of 7-(2,2-dimethylpiperazin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(2,2-dimethylpiperazin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 248.29 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpiperazin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).