4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

C16H21N7O — CID 133364964

IUPAC4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1nc2ncnn2c(N2CCOC(C)(c3cnn(C)c3)C2)c1C
InChIInChI=1S/C16H21N7O/c1-11-12(2)20-15-17-10-19-23(15)14(11)22-5-6-24-16(3,9-22)13-7-18-21(4)8-13/h7-8,10H,5-6,9H2,1-4H3
InChIKeyIZZKDOZNCHIMLP-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.23
Rot. Bonds2

About 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 133364964) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID133364964
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1nc2ncnn2c(N2CCOC(C)(c3cnn(C)c3)C2)c1C
InChIInChI=1S/C16H21N7O/c1-11-12(2)20-15-17-10-19-23(15)14(11)22-5-6-24-16(3,9-22)13-7-18-21(4)8-13/h7-8,10H,5-6,9H2,1-4H3
InChIKeyIZZKDOZNCHIMLP-UHFFFAOYSA-N
XLogP1.23
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (CID 133364964) is 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is Cc1nc2ncnn2c(N2CCOC(C)(c3cnn(C)c3)C2)c1C.
What is the InChIKey of 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is IZZKDOZNCHIMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-11-12(2)20-15-17-10-19-23(15)14(11)22-5-6-24-16(3,9-22)13-7-18-21(4)8-13/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 327.39 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 133364964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).