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

C13H17N5O — CID 654158

IUPAC4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine
SMILESc1nc2nc3c(c(N4CCOCC4)n2n1)CCCC3
InChIInChI=1S/C13H17N5O/c1-2-4-11-10(3-1)12(17-5-7-19-8-6-17)18-13(16-11)14-9-15-18/h9H,1-8H2
InChIKeyOWEVBHITWQGZKS-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.84
Rot. Bonds1

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

4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine (PubChem CID 654158) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine
PubChem CID654158
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine
SMILESc1nc2nc3c(c(N4CCOCC4)n2n1)CCCC3
InChIInChI=1S/C13H17N5O/c1-2-4-11-10(3-1)12(17-5-7-19-8-6-17)18-13(16-11)14-9-15-18/h9H,1-8H2
InChIKeyOWEVBHITWQGZKS-UHFFFAOYSA-N
XLogP0.84
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine?
The IUPAC name of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine (CID 654158) is 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine.
What is the SMILES notation for 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine?
The canonical SMILES for 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine is c1nc2nc3c(c(N4CCOCC4)n2n1)CCCC3.
What is the InChIKey of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine?
The InChIKey is OWEVBHITWQGZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-4-11-10(3-1)12(17-5-7-19-8-6-17)18-13(16-11)14-9-15-18/h9H,1-8H2.
What are the key properties of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine?
4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine has a molecular weight of 259.31 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)morpholine is sourced from PubChem (CID 654158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).