1H-imidazo[4,5-d]pyridazine-4,7-diamine

C5H6N6 — CID 5355150

IUPAC1H-imidazo[4,5-d]pyridazine-4,7-diamine
SMILESNc1nnc(N)c2[nH]cnc12
InChIInChI=1S/C5H6N6/c6-4-2-3(9-1-8-2)5(7)11-10-4/h1H,(H2,6,10)(H2,7,11)(H,8,9)
InChIKeyUMLCZSAOYUCVKU-UHFFFAOYSA-N
MW150.15 g/mol
LogP-0.48
Rot. Bonds

About 1H-imidazo[4,5-d]pyridazine-4,7-diamine

1H-imidazo[4,5-d]pyridazine-4,7-diamine (PubChem CID 5355150) has the molecular formula C5H6N6 and a molecular weight of 150.15 g/mol. Its IUPAC name is 1H-imidazo[4,5-d]pyridazine-4,7-diamine.

Molecular Properties

Compound Name1H-imidazo[4,5-d]pyridazine-4,7-diamine
PubChem CID5355150
Molecular FormulaC5H6N6
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name1H-imidazo[4,5-d]pyridazine-4,7-diamine
SMILESNc1nnc(N)c2[nH]cnc12
InChIInChI=1S/C5H6N6/c6-4-2-3(9-1-8-2)5(7)11-10-4/h1H,(H2,6,10)(H2,7,11)(H,8,9)
InChIKeyUMLCZSAOYUCVKU-UHFFFAOYSA-N
XLogP-0.48
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1H-imidazo[4,5-d]pyridazine-4,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-imidazo[4,5-d]pyridazine-4,7-diamine?
The IUPAC name of 1H-imidazo[4,5-d]pyridazine-4,7-diamine (CID 5355150) is 1H-imidazo[4,5-d]pyridazine-4,7-diamine.
What is the SMILES notation for 1H-imidazo[4,5-d]pyridazine-4,7-diamine?
The canonical SMILES for 1H-imidazo[4,5-d]pyridazine-4,7-diamine is Nc1nnc(N)c2[nH]cnc12.
What is the InChIKey of 1H-imidazo[4,5-d]pyridazine-4,7-diamine?
The InChIKey is UMLCZSAOYUCVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6/c6-4-2-3(9-1-8-2)5(7)11-10-4/h1H,(H2,6,10)(H2,7,11)(H,8,9).
What are the key properties of 1H-imidazo[4,5-d]pyridazine-4,7-diamine?
1H-imidazo[4,5-d]pyridazine-4,7-diamine has a molecular weight of 150.15 g/mol, XLogP of -0.48, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazo[4,5-d]pyridazine-4,7-diamine is sourced from PubChem (CID 5355150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).