(5R,6R)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-6-(oxolan-2-yl)piperidin-2-one

C15H20N6O2 — CID 138019417

IUPAC(5R,6R)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-6-(oxolan-2-yl)piperidin-2-one
SMILESCc1cc(N[C@@H]2CCC(=O)N[C@H]2C2CCCO2)n2ncnc2n1
InChIInChI=1S/C15H20N6O2/c1-9-7-12(21-15(18-9)16-8-17-21)19-10-4-5-13(22)20-14(10)11-3-2-6-23-11/h7-8,10-11,14,19H,2-6H2,1H3,(H,20,22)/t10-,11?,14-/m1/s1
InChIKeyCZWQQUOOLUDSJH-VBCZDQSUSA-N
MW316.37 g/mol
LogP0.67
Rot. Bonds3

About (5R,6R)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-6-(oxolan-2-yl)piperidin-2-one

(5R,6R)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-6-(oxolan-2-yl)piperidin-2-one (PubChem CID 138019417) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is (5R,6R)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-6-(oxolan-2-yl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-6-(oxolan-2-yl)piperidin-2-one
PubChem CID138019417
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name(5R,6R)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-6-(oxolan-2-yl)piperidin-2-one
SMILESCc1cc(N[C@@H]2CCC(=O)N[C@H]2C2CCCO2)n2ncnc2n1
InChIInChI=1S/C15H20N6O2/c1-9-7-12(21-15(18-9)16-8-17-21)19-10-4-5-13(22)20-14(10)11-3-2-6-23-11/h7-8,10-11,14,19H,2-6H2,1H3,(H,20,22)/t10-,11?,14-/m1/s1
InChIKeyCZWQQUOOLUDSJH-VBCZDQSUSA-N
XLogP0.67
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5R,6R)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-6-(oxolan-2-yl)piperidin-2-one with MolForge

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Related Compounds

(5R,6R)-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-6-(oxolan-2-yl)piperidin-2-one
CID 138019416
N-cyclobutyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259071
5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 113346594
N-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 86972141
5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 100664223
5-methyl-N-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106995974
N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133364796
N-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79840007
N-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 82765048
1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
CID 146133919
3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one
CID 133377499
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 42942271

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-6-(oxolan-2-yl)piperidin-2-one?
The IUPAC name of (5R,6R)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-6-(oxolan-2-yl)piperidin-2-one (CID 138019417) is (5R,6R)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-6-(oxolan-2-yl)piperidin-2-one.
What is the SMILES notation for (5R,6R)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-6-(oxolan-2-yl)piperidin-2-one?
The canonical SMILES for (5R,6R)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-6-(oxolan-2-yl)piperidin-2-one is Cc1cc(N[C@@H]2CCC(=O)N[C@H]2C2CCCO2)n2ncnc2n1.
What is the InChIKey of (5R,6R)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-6-(oxolan-2-yl)piperidin-2-one?
The InChIKey is CZWQQUOOLUDSJH-VBCZDQSUSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-9-7-12(21-15(18-9)16-8-17-21)19-10-4-5-13(22)20-14(10)11-3-2-6-23-11/h7-8,10-11,14,19H,2-6H2,1H3,(H,20,22)/t10-,11?,14-/m1/s1.
What are the key properties of (5R,6R)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-6-(oxolan-2-yl)piperidin-2-one?
(5R,6R)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-6-(oxolan-2-yl)piperidin-2-one has a molecular weight of 316.37 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-6-(oxolan-2-yl)piperidin-2-one is sourced from PubChem (CID 138019417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).