4-[3-[1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propyl]morpholine

C20H32N6O — CID 99819723

IUPAC4-[3-[1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propyl]morpholine
SMILESCCCc1cc(N2CCC(CCCN3CCOCC3)CC2)n2ncnc2n1
InChIInChI=1S/C20H32N6O/c1-2-4-18-15-19(26-20(23-18)21-16-22-26)25-9-6-17(7-10-25)5-3-8-24-11-13-27-14-12-24/h15-17H,2-14H2,1H3
InChIKeyXMMLKGQNKWCQEV-UHFFFAOYSA-N
MW372.52 g/mol
LogP2.41
Rot. Bonds7

About 4-[3-[1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propyl]morpholine

4-[3-[1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propyl]morpholine (PubChem CID 99819723) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is 4-[3-[1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propyl]morpholine
PubChem CID99819723
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Name4-[3-[1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propyl]morpholine
SMILESCCCc1cc(N2CCC(CCCN3CCOCC3)CC2)n2ncnc2n1
InChIInChI=1S/C20H32N6O/c1-2-4-18-15-19(26-20(23-18)21-16-22-26)25-9-6-17(7-10-25)5-3-8-24-11-13-27-14-12-24/h15-17H,2-14H2,1H3
InChIKeyXMMLKGQNKWCQEV-UHFFFAOYSA-N
XLogP2.41
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propyl]morpholine?
The IUPAC name of 4-[3-[1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propyl]morpholine (CID 99819723) is 4-[3-[1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propyl]morpholine is CCCc1cc(N2CCC(CCCN3CCOCC3)CC2)n2ncnc2n1.
What is the InChIKey of 4-[3-[1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propyl]morpholine?
The InChIKey is XMMLKGQNKWCQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O/c1-2-4-18-15-19(26-20(23-18)21-16-22-26)25-9-6-17(7-10-25)5-3-8-24-11-13-27-14-12-24/h15-17H,2-14H2,1H3.
What are the key properties of 4-[3-[1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propyl]morpholine?
4-[3-[1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propyl]morpholine has a molecular weight of 372.52 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propyl]morpholine is sourced from PubChem (CID 99819723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).