[(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone

C17H24N6O2 — CID 95346412

IUPAC[(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nc2ncnn2c(N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1C
InChIInChI=1S/C17H24N6O2/c1-12-13(2)20-17-18-11-19-23(17)15(12)22-5-3-4-14(10-22)16(24)21-6-8-25-9-7-21/h11,14H,3-10H2,1-2H3/t14-/m1/s1
InChIKeyPXBRXKDFVMHTFX-CQSZACIVSA-N
MW344.42 g/mol
LogP0.82
Rot. Bonds2

About [(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone

[(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 95346412) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID95346412
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name[(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nc2ncnn2c(N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1C
InChIInChI=1S/C17H24N6O2/c1-12-13(2)20-17-18-11-19-23(17)15(12)22-5-3-4-14(10-22)16(24)21-6-8-25-9-7-21/h11,14H,3-10H2,1-2H3/t14-/m1/s1
InChIKeyPXBRXKDFVMHTFX-CQSZACIVSA-N
XLogP0.82
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 95346410
5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017023
7-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97066727
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylacetamide
CID 163347900
4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 155976480
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone
CID 171997323
5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017019
[1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165434655
7-[(3R,5S)-3,5-dimethylazepan-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 138053520
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide
CID 154582584
[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 72925067
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 94521513

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 95346412) is [(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone is Cc1nc2ncnn2c(N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1C.
What is the InChIKey of [(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is PXBRXKDFVMHTFX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12-13(2)20-17-18-11-19-23(17)15(12)22-5-3-4-14(10-22)16(24)21-6-8-25-9-7-21/h11,14H,3-10H2,1-2H3/t14-/m1/s1.
What are the key properties of [(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
[(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 344.42 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 95346412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).