1H-imidazo[4,5-d]pyridazin-4-amine

C5H5N5 — CID 5469585

IUPAC1H-imidazo[4,5-d]pyridazin-4-amine
SMILESNc1nncc2[nH]cnc12
InChIInChI=1S/C5H5N5/c6-5-4-3(1-9-10-5)7-2-8-4/h1-2H,(H2,6,10)(H,7,8)
InChIKeyAQXVOWQDVXWUAX-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.06
Rot. Bonds

About 1H-imidazo[4,5-d]pyridazin-4-amine

1H-imidazo[4,5-d]pyridazin-4-amine (PubChem CID 5469585) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 1H-imidazo[4,5-d]pyridazin-4-amine.

Molecular Properties

Compound Name1H-imidazo[4,5-d]pyridazin-4-amine
PubChem CID5469585
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name1H-imidazo[4,5-d]pyridazin-4-amine
SMILESNc1nncc2[nH]cnc12
InChIInChI=1S/C5H5N5/c6-5-4-3(1-9-10-5)7-2-8-4/h1-2H,(H2,6,10)(H,7,8)
InChIKeyAQXVOWQDVXWUAX-UHFFFAOYSA-N
XLogP-0.06
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazo[4,5-d]pyridazin-4-amine?
The IUPAC name of 1H-imidazo[4,5-d]pyridazin-4-amine (CID 5469585) is 1H-imidazo[4,5-d]pyridazin-4-amine.
What is the SMILES notation for 1H-imidazo[4,5-d]pyridazin-4-amine?
The canonical SMILES for 1H-imidazo[4,5-d]pyridazin-4-amine is Nc1nncc2[nH]cnc12.
What is the InChIKey of 1H-imidazo[4,5-d]pyridazin-4-amine?
The InChIKey is AQXVOWQDVXWUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c6-5-4-3(1-9-10-5)7-2-8-4/h1-2H,(H2,6,10)(H,7,8).
What are the key properties of 1H-imidazo[4,5-d]pyridazin-4-amine?
1H-imidazo[4,5-d]pyridazin-4-amine has a molecular weight of 135.13 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazo[4,5-d]pyridazin-4-amine is sourced from PubChem (CID 5469585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).