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

C18H25N7O3 — CID 55922143

IUPAC1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethane-1,2-dione
SMILESCCCc1cc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n2ncnc2n1
InChIInChI=1S/C18H25N7O3/c1-2-3-14-12-15(25-18(21-14)19-13-20-25)22-4-6-23(7-5-22)16(26)17(27)24-8-10-28-11-9-24/h12-13H,2-11H2,1H3
InChIKeyCKGWRIBTANNLDB-UHFFFAOYSA-N
MW387.44 g/mol
LogP-0.42
Rot. Bonds3

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

1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethane-1,2-dione (PubChem CID 55922143) has the molecular formula C18H25N7O3 and a molecular weight of 387.44 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]ethane-1,2-dione.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethane-1,2-dione
PubChem CID55922143
Molecular FormulaC18H25N7O3
Molecular Weight387.44 g/mol
Exact Mass387.20
IUPAC Name1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethane-1,2-dione
SMILESCCCc1cc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n2ncnc2n1
InChIInChI=1S/C18H25N7O3/c1-2-3-14-12-15(25-18(21-14)19-13-20-25)22-4-6-23(7-5-22)16(26)17(27)24-8-10-28-11-9-24/h12-13H,2-11H2,1H3
InChIKeyCKGWRIBTANNLDB-UHFFFAOYSA-N
XLogP-0.42
TPSA96.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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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]ethane-1,2-dione?
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]ethane-1,2-dione (CID 55922143) is 1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethane-1,2-dione.
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]ethane-1,2-dione?
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]ethane-1,2-dione is CCCc1cc(N2CCN(C(=O)C(=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]ethane-1,2-dione?
The InChIKey is CKGWRIBTANNLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O3/c1-2-3-14-12-15(25-18(21-14)19-13-20-25)22-4-6-23(7-5-22)16(26)17(27)24-8-10-28-11-9-24/h12-13H,2-11H2,1H3.
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]ethane-1,2-dione?
1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethane-1,2-dione has a molecular weight of 387.44 g/mol, XLogP of -0.42, 3 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]ethane-1,2-dione is sourced from PubChem (CID 55922143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).