2-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine

C19H17N5O — CID 21283341

IUPAC2-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine
SMILESc1ccc(-c2nnc3c4ccccc4c(C4CNCCO4)nn23)cc1
InChIInChI=1S/C19H17N5O/c1-2-6-13(7-3-1)18-21-22-19-15-9-5-4-8-14(15)17(23-24(18)19)16-12-20-10-11-25-16/h1-9,16,20H,10-12H2
InChIKeyQNCXPUXFNJJRGF-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.61
Rot. Bonds2

About 2-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine

2-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine (PubChem CID 21283341) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine.

Molecular Properties

Compound Name2-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine
PubChem CID21283341
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name2-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine
SMILESc1ccc(-c2nnc3c4ccccc4c(C4CNCCO4)nn23)cc1
InChIInChI=1S/C19H17N5O/c1-2-6-13(7-3-1)18-21-22-19-15-9-5-4-8-14(15)17(23-24(18)19)16-12-20-10-11-25-16/h1-9,16,20H,10-12H2
InChIKeyQNCXPUXFNJJRGF-UHFFFAOYSA-N
XLogP2.61
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine?
The IUPAC name of 2-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine (CID 21283341) is 2-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine.
What is the SMILES notation for 2-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine?
The canonical SMILES for 2-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine is c1ccc(-c2nnc3c4ccccc4c(C4CNCCO4)nn23)cc1.
What is the InChIKey of 2-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine?
The InChIKey is QNCXPUXFNJJRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-2-6-13(7-3-1)18-21-22-19-15-9-5-4-8-14(15)17(23-24(18)19)16-12-20-10-11-25-16/h1-9,16,20H,10-12H2.
What are the key properties of 2-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine?
2-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine has a molecular weight of 331.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine is sourced from PubChem (CID 21283341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).