3-phenyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine

C19H17N5 — CID 3071185

IUPAC3-phenyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESc1ccc(-c2nnc3c4ccccc4c(N4CCCC4)nn23)cc1
InChIInChI=1S/C19H17N5/c1-2-8-14(9-3-1)17-20-21-18-15-10-4-5-11-16(15)19(22-24(17)18)23-12-6-7-13-23/h1-5,8-11H,6-7,12-13H2
InChIKeyXCYPTFZMNWGGEH-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.54
Rot. Bonds2

About 3-phenyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine

3-phenyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 3071185) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-phenyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name3-phenyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID3071185
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name3-phenyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESc1ccc(-c2nnc3c4ccccc4c(N4CCCC4)nn23)cc1
InChIInChI=1S/C19H17N5/c1-2-8-14(9-3-1)17-20-21-18-15-10-4-5-11-16(15)19(22-24(17)18)23-12-6-7-13-23/h1-5,8-11H,6-7,12-13H2
InChIKeyXCYPTFZMNWGGEH-UHFFFAOYSA-N
XLogP3.54
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 3-phenyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine (CID 3071185) is 3-phenyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 3-phenyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 3-phenyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine is c1ccc(-c2nnc3c4ccccc4c(N4CCCC4)nn23)cc1.
What is the InChIKey of 3-phenyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is XCYPTFZMNWGGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-2-8-14(9-3-1)17-20-21-18-15-10-4-5-11-16(15)19(22-24(17)18)23-12-6-7-13-23/h1-5,8-11H,6-7,12-13H2.
What are the key properties of 3-phenyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine?
3-phenyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 315.38 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 3071185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).