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

C20H21N7O — CID 127470262

IUPAC2-methyl-2-(1-methylpyrazol-4-yl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCn1cc(C2(C)CN(c3cc(-c4ccccc4)nc4ncnn34)CCO2)cn1
InChIInChI=1S/C20H21N7O/c1-20(16-11-22-25(2)12-16)13-26(8-9-28-20)18-10-17(15-6-4-3-5-7-15)24-19-21-14-23-27(18)19/h3-7,10-12,14H,8-9,13H2,1-2H3
InChIKeyYFOKHWHEOZPJFL-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.28
Rot. Bonds3

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

2-methyl-2-(1-methylpyrazol-4-yl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 127470262) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-methyl-2-(1-methylpyrazol-4-yl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name2-methyl-2-(1-methylpyrazol-4-yl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
PubChem CID127470262
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name2-methyl-2-(1-methylpyrazol-4-yl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCn1cc(C2(C)CN(c3cc(-c4ccccc4)nc4ncnn34)CCO2)cn1
InChIInChI=1S/C20H21N7O/c1-20(16-11-22-25(2)12-16)13-26(8-9-28-20)18-10-17(15-6-4-3-5-7-15)24-19-21-14-23-27(18)19/h3-7,10-12,14H,8-9,13H2,1-2H3
InChIKeyYFOKHWHEOZPJFL-UHFFFAOYSA-N
XLogP2.28
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-methylpyrazol-4-yl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The IUPAC name of 2-methyl-2-(1-methylpyrazol-4-yl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 127470262) is 2-methyl-2-(1-methylpyrazol-4-yl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 2-methyl-2-(1-methylpyrazol-4-yl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The canonical SMILES for 2-methyl-2-(1-methylpyrazol-4-yl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is Cn1cc(C2(C)CN(c3cc(-c4ccccc4)nc4ncnn34)CCO2)cn1.
What is the InChIKey of 2-methyl-2-(1-methylpyrazol-4-yl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The InChIKey is YFOKHWHEOZPJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-20(16-11-22-25(2)12-16)13-26(8-9-28-20)18-10-17(15-6-4-3-5-7-15)24-19-21-14-23-27(18)19/h3-7,10-12,14H,8-9,13H2,1-2H3.
What are the key properties of 2-methyl-2-(1-methylpyrazol-4-yl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
2-methyl-2-(1-methylpyrazol-4-yl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine has a molecular weight of 375.44 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methylpyrazol-4-yl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 127470262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).