2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone

C17H24N6O2 — CID 172900344

IUPAC2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCc1cc(N2CCC(CC(=O)N3CCOCC3)CC2)n2ncnc2n1
InChIInChI=1S/C17H24N6O2/c1-13-10-15(23-17(20-13)18-12-19-23)21-4-2-14(3-5-21)11-16(24)22-6-8-25-9-7-22/h10,12,14H,2-9,11H2,1H3
InChIKeyQDYXTAUOEDNLDO-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.90
Rot. Bonds3

About 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone

2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 172900344) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID172900344
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCc1cc(N2CCC(CC(=O)N3CCOCC3)CC2)n2ncnc2n1
InChIInChI=1S/C17H24N6O2/c1-13-10-15(23-17(20-13)18-12-19-23)21-4-2-14(3-5-21)11-16(24)22-6-8-25-9-7-22/h10,12,14H,2-9,11H2,1H3
InChIKeyQDYXTAUOEDNLDO-UHFFFAOYSA-N
XLogP0.90
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone (CID 172900344) is 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone is Cc1cc(N2CCC(CC(=O)N3CCOCC3)CC2)n2ncnc2n1.
What is the InChIKey of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is QDYXTAUOEDNLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-13-10-15(23-17(20-13)18-12-19-23)21-4-2-14(3-5-21)11-16(24)22-6-8-25-9-7-22/h10,12,14H,2-9,11H2,1H3.
What are the key properties of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 344.42 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 172900344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).