6-(4-methylpiperazin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine

C20H20N6 — CID 3071197

IUPAC6-(4-methylpiperazin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCN1CCN(c2nn3c(-c4ccccc4)nnc3c3ccccc23)CC1
InChIInChI=1S/C20H20N6/c1-24-11-13-25(14-12-24)20-17-10-6-5-9-16(17)19-22-21-18(26(19)23-20)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyAJGSSVPGLGFSGB-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.70
Rot. Bonds2

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

6-(4-methylpiperazin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 3071197) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID3071197
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name6-(4-methylpiperazin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCN1CCN(c2nn3c(-c4ccccc4)nnc3c3ccccc23)CC1
InChIInChI=1S/C20H20N6/c1-24-11-13-25(14-12-24)20-17-10-6-5-9-16(17)19-22-21-18(26(19)23-20)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyAJGSSVPGLGFSGB-UHFFFAOYSA-N
XLogP2.70
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine (CID 3071197) is 6-(4-methylpiperazin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine is CN1CCN(c2nn3c(-c4ccccc4)nnc3c3ccccc23)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is AJGSSVPGLGFSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-24-11-13-25(14-12-24)20-17-10-6-5-9-16(17)19-22-21-18(26(19)23-20)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
6-(4-methylpiperazin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 344.42 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 3071197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).