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

C18H27N7O2 — CID 126770658

IUPAC1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
SMILESCCCc1cc(N2CCN(CC(=O)N3CCOCC3)CC2)n2ncnc2n1
InChIInChI=1S/C18H27N7O2/c1-2-3-15-12-16(25-18(21-15)19-14-20-25)23-6-4-22(5-7-23)13-17(26)24-8-10-27-11-9-24/h12,14H,2-11,13H2,1H3
InChIKeyIUIFMAQRHRRIJF-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.06
Rot. Bonds5

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

1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone (PubChem CID 126770658) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
PubChem CID126770658
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC Name1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
SMILESCCCc1cc(N2CCN(CC(=O)N3CCOCC3)CC2)n2ncnc2n1
InChIInChI=1S/C18H27N7O2/c1-2-3-15-12-16(25-18(21-15)19-14-20-25)23-6-4-22(5-7-23)13-17(26)24-8-10-27-11-9-24/h12,14H,2-11,13H2,1H3
InChIKeyIUIFMAQRHRRIJF-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900344
2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 155800366
5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 56795551
N-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
CID 133418014
3-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 119061335
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 131925736
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 7407406
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 36958018
N-[(4-methoxyphenyl)methyl]-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 3227327
N-(2-methylbutan-2-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
CID 36958947
5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50820542
(2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 95282609

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone (CID 126770658) is 1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone is CCCc1cc(N2CCN(CC(=O)N3CCOCC3)CC2)n2ncnc2n1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone?
The InChIKey is IUIFMAQRHRRIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-2-3-15-12-16(25-18(21-15)19-14-20-25)23-6-4-22(5-7-23)13-17(26)24-8-10-27-11-9-24/h12,14H,2-11,13H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone?
1-morpholin-4-yl-2-[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 1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 126770658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).