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

C19H17N5O — CID 3071186

IUPAC4-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine
SMILESc1ccc(-c2nnc3c4ccccc4c(N4CCOCC4)nn23)cc1
InChIInChI=1S/C19H17N5O/c1-2-6-14(7-3-1)17-20-21-18-15-8-4-5-9-16(15)19(22-24(17)18)23-10-12-25-13-11-23/h1-9H,10-13H2
InChIKeyFFXVMDJRDNDICF-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.78
Rot. Bonds2

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

4-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine (PubChem CID 3071186) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine.

Molecular Properties

Compound Name4-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine
PubChem CID3071186
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name4-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine
SMILESc1ccc(-c2nnc3c4ccccc4c(N4CCOCC4)nn23)cc1
InChIInChI=1S/C19H17N5O/c1-2-6-14(7-3-1)17-20-21-18-15-8-4-5-9-16(15)19(22-24(17)18)23-10-12-25-13-11-23/h1-9H,10-13H2
InChIKeyFFXVMDJRDNDICF-UHFFFAOYSA-N
XLogP2.78
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine?
The IUPAC name of 4-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine (CID 3071186) is 4-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine.
What is the SMILES notation for 4-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine?
The canonical SMILES for 4-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine is c1ccc(-c2nnc3c4ccccc4c(N4CCOCC4)nn23)cc1.
What is the InChIKey of 4-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine?
The InChIKey is FFXVMDJRDNDICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-2-6-14(7-3-1)17-20-21-18-15-8-4-5-9-16(15)19(22-24(17)18)23-10-12-25-13-11-23/h1-9H,10-13H2.
What are the key properties of 4-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine?
4-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine has a molecular weight of 331.38 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine is sourced from PubChem (CID 3071186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).