2-methyl-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-amine

C18H15N5 — CID 6481190

IUPAC2-methyl-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-amine
SMILESCn1nc2c(N)nnc(-c3ccccc3)c2c1-c1ccccc1
InChIInChI=1S/C18H15N5/c1-23-17(13-10-6-3-7-11-13)14-15(12-8-4-2-5-9-12)20-21-18(19)16(14)22-23/h2-11H,1H3,(H2,19,21)
InChIKeySFAYKXKPLRKRJF-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.28
Rot. Bonds2

About 2-methyl-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-amine

2-methyl-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-amine (PubChem CID 6481190) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-methyl-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-amine.

Molecular Properties

Compound Name2-methyl-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-amine
PubChem CID6481190
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name2-methyl-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-amine
SMILESCn1nc2c(N)nnc(-c3ccccc3)c2c1-c1ccccc1
InChIInChI=1S/C18H15N5/c1-23-17(13-10-6-3-7-11-13)14-15(12-8-4-2-5-9-12)20-21-18(19)16(14)22-23/h2-11H,1H3,(H2,19,21)
InChIKeySFAYKXKPLRKRJF-UHFFFAOYSA-N
XLogP3.28
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-amine?
The IUPAC name of 2-methyl-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-amine (CID 6481190) is 2-methyl-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-amine.
What is the SMILES notation for 2-methyl-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-amine?
The canonical SMILES for 2-methyl-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-amine is Cn1nc2c(N)nnc(-c3ccccc3)c2c1-c1ccccc1.
What is the InChIKey of 2-methyl-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-amine?
The InChIKey is SFAYKXKPLRKRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-23-17(13-10-6-3-7-11-13)14-15(12-8-4-2-5-9-12)20-21-18(19)16(14)22-23/h2-11H,1H3,(H2,19,21).
What are the key properties of 2-methyl-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-amine?
2-methyl-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-amine has a molecular weight of 301.35 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-amine is sourced from PubChem (CID 6481190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).