2-N,3-N-bis(4-methylphenyl)pyrazino[2,3-d]pyridazine-2,3,5,8-tetramine

C20H20N8 — CID 1185324

IUPAC2-N,3-N-bis(4-methylphenyl)pyrazino[2,3-d]pyridazine-2,3,5,8-tetramine
SMILESCc1ccc(Nc2nc3c(N)nnc(N)c3nc2Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H20N8/c1-11-3-7-13(8-4-11)23-19-20(24-14-9-5-12(2)6-10-14)26-16-15(25-19)17(21)27-28-18(16)22/h3-10H,1-2H3,(H2,21,27)(H2,22,28)(H,23,25)(H,24,26)
InChIKeyPHRRSLBTVPEKNL-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.69
Rot. Bonds4

About 2-N,3-N-bis(4-methylphenyl)pyrazino[2,3-d]pyridazine-2,3,5,8-tetramine

2-N,3-N-bis(4-methylphenyl)pyrazino[2,3-d]pyridazine-2,3,5,8-tetramine (PubChem CID 1185324) has the molecular formula C20H20N8 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-N,3-N-bis(4-methylphenyl)pyrazino[2,3-d]pyridazine-2,3,5,8-tetramine.

Molecular Properties

Compound Name2-N,3-N-bis(4-methylphenyl)pyrazino[2,3-d]pyridazine-2,3,5,8-tetramine
PubChem CID1185324
Molecular FormulaC20H20N8
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name2-N,3-N-bis(4-methylphenyl)pyrazino[2,3-d]pyridazine-2,3,5,8-tetramine
SMILESCc1ccc(Nc2nc3c(N)nnc(N)c3nc2Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H20N8/c1-11-3-7-13(8-4-11)23-19-20(24-14-9-5-12(2)6-10-14)26-16-15(25-19)17(21)27-28-18(16)22/h3-10H,1-2H3,(H2,21,27)(H2,22,28)(H,23,25)(H,24,26)
InChIKeyPHRRSLBTVPEKNL-UHFFFAOYSA-N
XLogP3.69
TPSA127.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(4-methylphenyl)pyrazino[2,3-d]pyridazine-2,3,5,8-tetramine?
The IUPAC name of 2-N,3-N-bis(4-methylphenyl)pyrazino[2,3-d]pyridazine-2,3,5,8-tetramine (CID 1185324) is 2-N,3-N-bis(4-methylphenyl)pyrazino[2,3-d]pyridazine-2,3,5,8-tetramine.
What is the SMILES notation for 2-N,3-N-bis(4-methylphenyl)pyrazino[2,3-d]pyridazine-2,3,5,8-tetramine?
The canonical SMILES for 2-N,3-N-bis(4-methylphenyl)pyrazino[2,3-d]pyridazine-2,3,5,8-tetramine is Cc1ccc(Nc2nc3c(N)nnc(N)c3nc2Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-N,3-N-bis(4-methylphenyl)pyrazino[2,3-d]pyridazine-2,3,5,8-tetramine?
The InChIKey is PHRRSLBTVPEKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8/c1-11-3-7-13(8-4-11)23-19-20(24-14-9-5-12(2)6-10-14)26-16-15(25-19)17(21)27-28-18(16)22/h3-10H,1-2H3,(H2,21,27)(H2,22,28)(H,23,25)(H,24,26).
What are the key properties of 2-N,3-N-bis(4-methylphenyl)pyrazino[2,3-d]pyridazine-2,3,5,8-tetramine?
2-N,3-N-bis(4-methylphenyl)pyrazino[2,3-d]pyridazine-2,3,5,8-tetramine has a molecular weight of 372.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(4-methylphenyl)pyrazino[2,3-d]pyridazine-2,3,5,8-tetramine is sourced from PubChem (CID 1185324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).