4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)morpholine

C15H16N6O — CID 718496

IUPAC4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)morpholine
SMILESc1ccc(Cn2nnc3c(N4CCOCC4)ncnc32)cc1
InChIInChI=1S/C15H16N6O/c1-2-4-12(5-3-1)10-21-15-13(18-19-21)14(16-11-17-15)20-6-8-22-9-7-20/h1-5,11H,6-10H2
InChIKeySJWKEXIUOLEKIC-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.11
Rot. Bonds3

About 4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)morpholine

4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)morpholine (PubChem CID 718496) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)morpholine
PubChem CID718496
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)morpholine
SMILESc1ccc(Cn2nnc3c(N4CCOCC4)ncnc32)cc1
InChIInChI=1S/C15H16N6O/c1-2-4-12(5-3-1)10-21-15-13(18-19-21)14(16-11-17-15)20-6-8-22-9-7-20/h1-5,11H,6-10H2
InChIKeySJWKEXIUOLEKIC-UHFFFAOYSA-N
XLogP1.11
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)morpholine?
The IUPAC name of 4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)morpholine (CID 718496) is 4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)morpholine?
The canonical SMILES for 4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)morpholine is c1ccc(Cn2nnc3c(N4CCOCC4)ncnc32)cc1.
What is the InChIKey of 4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)morpholine?
The InChIKey is SJWKEXIUOLEKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-2-4-12(5-3-1)10-21-15-13(18-19-21)14(16-11-17-15)20-6-8-22-9-7-20/h1-5,11H,6-10H2.
What are the key properties of 4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)morpholine?
4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)morpholine has a molecular weight of 296.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 718496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).