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

C14H14N6O — CID 660714

IUPAC4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)morpholine
SMILESc1ccc(-n2nnc3c(N4CCOCC4)ncnc32)cc1
InChIInChI=1S/C14H14N6O/c1-2-4-11(5-3-1)20-14-12(17-18-20)13(15-10-16-14)19-6-8-21-9-7-19/h1-5,10H,6-9H2
InChIKeyGJQPNMSIKFOZTA-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.05
Rot. Bonds2

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

4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)morpholine (PubChem CID 660714) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)morpholine
PubChem CID660714
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)morpholine
SMILESc1ccc(-n2nnc3c(N4CCOCC4)ncnc32)cc1
InChIInChI=1S/C14H14N6O/c1-2-4-11(5-3-1)20-14-12(17-18-20)13(15-10-16-14)19-6-8-21-9-7-19/h1-5,10H,6-9H2
InChIKeyGJQPNMSIKFOZTA-UHFFFAOYSA-N
XLogP1.05
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)morpholine?
The IUPAC name of 4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)morpholine (CID 660714) is 4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)morpholine?
The canonical SMILES for 4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)morpholine is c1ccc(-n2nnc3c(N4CCOCC4)ncnc32)cc1.
What is the InChIKey of 4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)morpholine?
The InChIKey is GJQPNMSIKFOZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-2-4-11(5-3-1)20-14-12(17-18-20)13(15-10-16-14)19-6-8-21-9-7-19/h1-5,10H,6-9H2.
What are the key properties of 4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)morpholine?
4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)morpholine has a molecular weight of 282.31 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 660714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).