4-[5-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine

C17H26N6O — CID 95114460

IUPAC4-[5-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cc(N2CCOCC2)n2nc(CN3CCC[C@H](C)C3)nc2n1
InChIInChI=1S/C17H26N6O/c1-13-4-3-5-21(11-13)12-15-19-17-18-14(2)10-16(23(17)20-15)22-6-8-24-9-7-22/h10,13H,3-9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyRIZVFDOSNHMOJP-ZDUSSCGKSA-N
MW330.44 g/mol
LogP1.50
Rot. Bonds3

About 4-[5-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[5-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 95114460) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-[5-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID95114460
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name4-[5-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cc(N2CCOCC2)n2nc(CN3CCC[C@H](C)C3)nc2n1
InChIInChI=1S/C17H26N6O/c1-13-4-3-5-21(11-13)12-15-19-17-18-14(2)10-16(23(17)20-15)22-6-8-24-9-7-22/h10,13H,3-9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyRIZVFDOSNHMOJP-ZDUSSCGKSA-N
XLogP1.50
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 95114460) is 4-[5-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1cc(N2CCOCC2)n2nc(CN3CCC[C@H](C)C3)nc2n1.
What is the InChIKey of 4-[5-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is RIZVFDOSNHMOJP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N6O/c1-13-4-3-5-21(11-13)12-15-19-17-18-14(2)10-16(23(17)20-15)22-6-8-24-9-7-22/h10,13H,3-9,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-[5-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 330.44 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 95114460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).