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

C11H16N6O — CID 82761363

IUPAC5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESC[C@@H]1CNCCN1Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C11H16N6O/c1-8-5-12-2-3-16(8)6-9-4-10(18)17-11(15-9)13-7-14-17/h4,7-8,12H,2-3,5-6H2,1H3,(H,13,14,15)/t8-/m1/s1
InChIKeyOTOXXTBDWABHSA-MRVPVSSYSA-N
MW248.29 g/mol
LogP-0.79
Rot. Bonds2

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

5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 82761363) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID82761363
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESC[C@@H]1CNCCN1Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C11H16N6O/c1-8-5-12-2-3-16(8)6-9-4-10(18)17-11(15-9)13-7-14-17/h4,7-8,12H,2-3,5-6H2,1H3,(H,13,14,15)/t8-/m1/s1
InChIKeyOTOXXTBDWABHSA-MRVPVSSYSA-N
XLogP-0.79
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

2-piperazin-1-yl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one dihydrochloride
CID 91658759
2-piperazin-1-yl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 91658760
5-Methyl-2-piperidin-1-yl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 14547518
5-methyl-2-(4-methylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 14547519
N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
CID 22160351
5-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 58878213
2,5-dimethyl-6-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 137362620
5-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;dihydrochloride
CID 169424325
5-(1,4-diazepan-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 43162425
5-[(4-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 43556653
5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 43607145
5-[(2-methylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 55104773

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 82761363) is 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is C[C@@H]1CNCCN1Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OTOXXTBDWABHSA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-8-5-12-2-3-16(8)6-9-4-10(18)17-11(15-9)13-7-14-17/h4,7-8,12H,2-3,5-6H2,1H3,(H,13,14,15)/t8-/m1/s1.
What are the key properties of 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 248.29 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82761363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).