4,5-bis(4-aminophenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine

C17H15N7 — CID 6538883

IUPAC4,5-bis(4-aminophenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESNc1ccc(-c2nnc3n[nH]c(N)c3c2-c2ccc(N)cc2)cc1
InChIInChI=1S/C17H15N7/c18-11-5-1-9(2-6-11)13-14-16(20)22-24-17(14)23-21-15(13)10-3-7-12(19)8-4-10/h1-8H,18-19H2,(H3,20,22,23,24)
InChIKeyBTFYSHCGDQHUFO-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.43
Rot. Bonds2

About 4,5-bis(4-aminophenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine

4,5-bis(4-aminophenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine (PubChem CID 6538883) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 4,5-bis(4-aminophenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine.

Molecular Properties

Compound Name4,5-bis(4-aminophenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine
PubChem CID6538883
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name4,5-bis(4-aminophenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESNc1ccc(-c2nnc3n[nH]c(N)c3c2-c2ccc(N)cc2)cc1
InChIInChI=1S/C17H15N7/c18-11-5-1-9(2-6-11)13-14-16(20)22-24-17(14)23-21-15(13)10-3-7-12(19)8-4-10/h1-8H,18-19H2,(H3,20,22,23,24)
InChIKeyBTFYSHCGDQHUFO-UHFFFAOYSA-N
XLogP2.43
TPSA132.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-aminophenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The IUPAC name of 4,5-bis(4-aminophenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine (CID 6538883) is 4,5-bis(4-aminophenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine.
What is the SMILES notation for 4,5-bis(4-aminophenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The canonical SMILES for 4,5-bis(4-aminophenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine is Nc1ccc(-c2nnc3n[nH]c(N)c3c2-c2ccc(N)cc2)cc1.
What is the InChIKey of 4,5-bis(4-aminophenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The InChIKey is BTFYSHCGDQHUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c18-11-5-1-9(2-6-11)13-14-16(20)22-24-17(14)23-21-15(13)10-3-7-12(19)8-4-10/h1-8H,18-19H2,(H3,20,22,23,24).
What are the key properties of 4,5-bis(4-aminophenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine?
4,5-bis(4-aminophenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine has a molecular weight of 317.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-aminophenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine is sourced from PubChem (CID 6538883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).