5-(4-morpholin-4-ylphenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C18H21N5O2 — CID 134439517

IUPAC5-(4-morpholin-4-ylphenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2ccc(N3CCOCC3)cc2)nc2nc[nH]n2c1=O
InChIInChI=1S/C18H21N5O2/c1-12(2)15-16(21-18-19-11-20-23(18)17(15)24)13-3-5-14(6-4-13)22-7-9-25-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,21)
InChIKeyPIDMSRALPLHLNG-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.04
Rot. Bonds3

About 5-(4-morpholin-4-ylphenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-(4-morpholin-4-ylphenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 134439517) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-(4-morpholin-4-ylphenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(4-morpholin-4-ylphenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID134439517
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name5-(4-morpholin-4-ylphenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2ccc(N3CCOCC3)cc2)nc2nc[nH]n2c1=O
InChIInChI=1S/C18H21N5O2/c1-12(2)15-16(21-18-19-11-20-23(18)17(15)24)13-3-5-14(6-4-13)22-7-9-25-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,21)
InChIKeyPIDMSRALPLHLNG-UHFFFAOYSA-N
XLogP2.04
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-morpholin-4-ylphenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(4-morpholin-4-ylphenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 134439517) is 5-(4-morpholin-4-ylphenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(4-morpholin-4-ylphenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(4-morpholin-4-ylphenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1c(-c2ccc(N3CCOCC3)cc2)nc2nc[nH]n2c1=O.
What is the InChIKey of 5-(4-morpholin-4-ylphenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PIDMSRALPLHLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12(2)15-16(21-18-19-11-20-23(18)17(15)24)13-3-5-14(6-4-13)22-7-9-25-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,21).
What are the key properties of 5-(4-morpholin-4-ylphenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(4-morpholin-4-ylphenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 339.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-4-ylphenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134439517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).