(3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine

C11H15N5O — CID 32810016

IUPAC(3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCc1cc(N2CCOC[C@@H]2C)n2ncnc2n1
InChIInChI=1S/C11H15N5O/c1-8-5-10(15-3-4-17-6-9(15)2)16-11(14-8)12-7-13-16/h5,7,9H,3-4,6H2,1-2H3/t9-/m0/s1
InChIKeyJMSUVGMDLIXLKI-VIFPVBQESA-N
MW233.27 g/mol
LogP0.66
Rot. Bonds1

About (3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine

(3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 32810016) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is (3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name(3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
PubChem CID32810016
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name(3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCc1cc(N2CCOC[C@@H]2C)n2ncnc2n1
InChIInChI=1S/C11H15N5O/c1-8-5-10(15-3-4-17-6-9(15)2)16-11(14-8)12-7-13-16/h5,7,9H,3-4,6H2,1-2H3/t9-/m0/s1
InChIKeyJMSUVGMDLIXLKI-VIFPVBQESA-N
XLogP0.66
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The IUPAC name of (3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 32810016) is (3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.
What is the SMILES notation for (3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The canonical SMILES for (3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is Cc1cc(N2CCOC[C@@H]2C)n2ncnc2n1.
What is the InChIKey of (3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The InChIKey is JMSUVGMDLIXLKI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-5-10(15-3-4-17-6-9(15)2)16-11(14-8)12-7-13-16/h5,7,9H,3-4,6H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
(3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine has a molecular weight of 233.27 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 32810016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).