2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine

C15H21N5O — CID 655833

IUPAC2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine
SMILESCC1CN(c2c3c(nc4ncnn24)CCCC3)CC(C)O1
InChIInChI=1S/C15H21N5O/c1-10-7-19(8-11(2)21-10)14-12-5-3-4-6-13(12)18-15-16-9-17-20(14)15/h9-11H,3-8H2,1-2H3
InChIKeyOQLHIYQOPPJFEB-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.62
Rot. Bonds1

About 2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine

2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine (PubChem CID 655833) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine
PubChem CID655833
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine
SMILESCC1CN(c2c3c(nc4ncnn24)CCCC3)CC(C)O1
InChIInChI=1S/C15H21N5O/c1-10-7-19(8-11(2)21-10)14-12-5-3-4-6-13(12)18-15-16-9-17-20(14)15/h9-11H,3-8H2,1-2H3
InChIKeyOQLHIYQOPPJFEB-UHFFFAOYSA-N
XLogP1.62
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine (CID 655833) is 2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine is CC1CN(c2c3c(nc4ncnn24)CCCC3)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine?
The InChIKey is OQLHIYQOPPJFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-7-19(8-11(2)21-10)14-12-5-3-4-6-13(12)18-15-16-9-17-20(14)15/h9-11H,3-8H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine?
2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine has a molecular weight of 287.37 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine is sourced from PubChem (CID 655833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).