6-(4-methoxyphenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine

C20H19N5O — CID 3071250

IUPAC6-(4-methoxyphenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCOc1ccc(-c2nn3c(N4CCCC4)nnc3c3ccccc23)cc1
InChIInChI=1S/C20H19N5O/c1-26-15-10-8-14(9-11-15)18-16-6-2-3-7-17(16)19-21-22-20(25(19)23-18)24-12-4-5-13-24/h2-3,6-11H,4-5,12-13H2,1H3
InChIKeyRKINLIGTILCMDR-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.55
Rot. Bonds3

About 6-(4-methoxyphenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine

6-(4-methoxyphenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 3071250) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID3071250
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name6-(4-methoxyphenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCOc1ccc(-c2nn3c(N4CCCC4)nnc3c3ccccc23)cc1
InChIInChI=1S/C20H19N5O/c1-26-15-10-8-14(9-11-15)18-16-6-2-3-7-17(16)19-21-22-20(25(19)23-18)24-12-4-5-13-24/h2-3,6-11H,4-5,12-13H2,1H3
InChIKeyRKINLIGTILCMDR-UHFFFAOYSA-N
XLogP3.55
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-(4-methoxyphenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine (CID 3071250) is 6-(4-methoxyphenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-(4-methoxyphenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine is COc1ccc(-c2nn3c(N4CCCC4)nnc3c3ccccc23)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is RKINLIGTILCMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-26-15-10-8-14(9-11-15)18-16-6-2-3-7-17(16)19-21-22-20(25(19)23-18)24-12-4-5-13-24/h2-3,6-11H,4-5,12-13H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine?
6-(4-methoxyphenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 345.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 3071250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).