2-morpholin-4-yl-1-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone

C18H27N7O2 — CID 55922274

IUPAC2-morpholin-4-yl-1-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
SMILESCCCc1cc(N2CCN(C(=O)CN3CCOCC3)CC2)n2ncnc2n1
InChIInChI=1S/C18H27N7O2/c1-2-3-15-12-16(25-18(21-15)19-14-20-25)23-4-6-24(7-5-23)17(26)13-22-8-10-27-11-9-22/h12,14H,2-11,13H2,1H3
InChIKeyWCVUEWANAPCBPY-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.06
Rot. Bonds5

About 2-morpholin-4-yl-1-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone

2-morpholin-4-yl-1-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone (PubChem CID 55922274) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
PubChem CID55922274
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC Name2-morpholin-4-yl-1-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
SMILESCCCc1cc(N2CCN(C(=O)CN3CCOCC3)CC2)n2ncnc2n1
InChIInChI=1S/C18H27N7O2/c1-2-3-15-12-16(25-18(21-15)19-14-20-25)23-4-6-24(7-5-23)17(26)13-22-8-10-27-11-9-22/h12,14H,2-11,13H2,1H3
InChIKeyWCVUEWANAPCBPY-UHFFFAOYSA-N
XLogP0.06
TPSA79.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone (CID 55922274) is 2-morpholin-4-yl-1-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone is CCCc1cc(N2CCN(C(=O)CN3CCOCC3)CC2)n2ncnc2n1.
What is the InChIKey of 2-morpholin-4-yl-1-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone?
The InChIKey is WCVUEWANAPCBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-2-3-15-12-16(25-18(21-15)19-14-20-25)23-4-6-24(7-5-23)17(26)13-22-8-10-27-11-9-22/h12,14H,2-11,13H2,1H3.
What are the key properties of 2-morpholin-4-yl-1-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone?
2-morpholin-4-yl-1-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone has a molecular weight of 373.46 g/mol, XLogP of 0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55922274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).