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

C16H17N5O2 — CID 1476924

IUPAC4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine
SMILESCOc1ccc(-c2ccnc3nc(N4CCOCC4)nn23)cc1
InChIInChI=1S/C16H17N5O2/c1-22-13-4-2-12(3-5-13)14-6-7-17-15-18-16(19-21(14)15)20-8-10-23-11-9-20/h2-7H,8-11H2,1H3
InChIKeyWGZDSFYVSJQPMK-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.64
Rot. Bonds3

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

4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine (PubChem CID 1476924) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine
PubChem CID1476924
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine
SMILESCOc1ccc(-c2ccnc3nc(N4CCOCC4)nn23)cc1
InChIInChI=1S/C16H17N5O2/c1-22-13-4-2-12(3-5-13)14-6-7-17-15-18-16(19-21(14)15)20-8-10-23-11-9-20/h2-7H,8-11H2,1H3
InChIKeyWGZDSFYVSJQPMK-UHFFFAOYSA-N
XLogP1.64
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Dorsomorphin
CID 11524144
Amg-208
CID 24864821
Bms-561388
CID 9908904
7-(4,6-Di-tert-butylpyrimidin-2-yl)-3-(4-trifluoromethoxyphenyl)-5,6,7,8-tetrahydro(1,2,4)triazolo(4,3-a)pyrazine
CID 91884614
4-[2-[4-(3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329447
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
Methyl substituted pyrazole, 27
CID 23648674
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine (CID 1476924) is 4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine is COc1ccc(-c2ccnc3nc(N4CCOCC4)nn23)cc1.
What is the InChIKey of 4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine?
The InChIKey is WGZDSFYVSJQPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-22-13-4-2-12(3-5-13)14-6-7-17-15-18-16(19-21(14)15)20-8-10-23-11-9-20/h2-7H,8-11H2,1H3.
What are the key properties of 4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine?
4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine has a molecular weight of 311.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 1476924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).