(6S)-6-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one

C13H18N6O — CID 164629665

IUPAC(6S)-6-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one
SMILESCC(C)c1cc(N2CC(=O)N[C@@H](C)C2)n2ncnc2n1
InChIInChI=1S/C13H18N6O/c1-8(2)10-4-12(19-13(17-10)14-7-15-19)18-5-9(3)16-11(20)6-18/h4,7-9H,5-6H2,1-3H3,(H,16,20)/t9-/m0/s1
InChIKeyOKWITEWKURUWKO-VIFPVBQESA-N
MW274.33 g/mol
LogP0.57
Rot. Bonds2

About (6S)-6-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one

(6S)-6-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one (PubChem CID 164629665) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is (6S)-6-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one.

Molecular Properties

Compound Name(6S)-6-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one
PubChem CID164629665
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name(6S)-6-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one
SMILESCC(C)c1cc(N2CC(=O)N[C@@H](C)C2)n2ncnc2n1
InChIInChI=1S/C13H18N6O/c1-8(2)10-4-12(19-13(17-10)14-7-15-19)18-5-9(3)16-11(20)6-18/h4,7-9H,5-6H2,1-3H3,(H,16,20)/t9-/m0/s1
InChIKeyOKWITEWKURUWKO-VIFPVBQESA-N
XLogP0.57
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one?
The IUPAC name of (6S)-6-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one (CID 164629665) is (6S)-6-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one.
What is the SMILES notation for (6S)-6-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one?
The canonical SMILES for (6S)-6-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one is CC(C)c1cc(N2CC(=O)N[C@@H](C)C2)n2ncnc2n1.
What is the InChIKey of (6S)-6-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one?
The InChIKey is OKWITEWKURUWKO-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N6O/c1-8(2)10-4-12(19-13(17-10)14-7-15-19)18-5-9(3)16-11(20)6-18/h4,7-9H,5-6H2,1-3H3,(H,16,20)/t9-/m0/s1.
What are the key properties of (6S)-6-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one?
(6S)-6-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one has a molecular weight of 274.33 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one is sourced from PubChem (CID 164629665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).