1H-imidazo[4,5-d]pyridazin-2-amine

C5H5N5 — CID 6400641

IUPAC1H-imidazo[4,5-d]pyridazin-2-amine
SMILESNc1nc2cnncc2[nH]1
InChIInChI=1S/C5H5N5/c6-5-9-3-1-7-8-2-4(3)10-5/h1-2H,(H3,6,9,10)
InChIKeyBUYBPEINWQQOFV-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.06
Rot. Bonds

About 1H-imidazo[4,5-d]pyridazin-2-amine

1H-imidazo[4,5-d]pyridazin-2-amine (PubChem CID 6400641) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 1H-imidazo[4,5-d]pyridazin-2-amine.

Molecular Properties

Compound Name1H-imidazo[4,5-d]pyridazin-2-amine
PubChem CID6400641
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name1H-imidazo[4,5-d]pyridazin-2-amine
SMILESNc1nc2cnncc2[nH]1
InChIInChI=1S/C5H5N5/c6-5-9-3-1-7-8-2-4(3)10-5/h1-2H,(H3,6,9,10)
InChIKeyBUYBPEINWQQOFV-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-2-amine?
The IUPAC name of 1H-imidazo[4,5-d]pyridazin-2-amine (CID 6400641) is 1H-imidazo[4,5-d]pyridazin-2-amine.
What is the SMILES notation for 1H-imidazo[4,5-d]pyridazin-2-amine?
The canonical SMILES for 1H-imidazo[4,5-d]pyridazin-2-amine is Nc1nc2cnncc2[nH]1.
What is the InChIKey of 1H-imidazo[4,5-d]pyridazin-2-amine?
The InChIKey is BUYBPEINWQQOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c6-5-9-3-1-7-8-2-4(3)10-5/h1-2H,(H3,6,9,10).
What are the key properties of 1H-imidazo[4,5-d]pyridazin-2-amine?
1H-imidazo[4,5-d]pyridazin-2-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-2-amine is sourced from PubChem (CID 6400641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).