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

C6H7N5 — CID 5469586

IUPACN-methyl-1H-imidazo[4,5-d]pyridazin-4-amine
SMILESCNc1nncc2[nH]cnc12
InChIInChI=1S/C6H7N5/c1-7-6-5-4(2-10-11-6)8-3-9-5/h2-3H,1H3,(H,7,11)(H,8,9)
InChIKeyBNGFPYLLQCQZQF-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.39
Rot. Bonds1

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

N-methyl-1H-imidazo[4,5-d]pyridazin-4-amine (PubChem CID 5469586) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is N-methyl-1H-imidazo[4,5-d]pyridazin-4-amine.

Molecular Properties

Compound NameN-methyl-1H-imidazo[4,5-d]pyridazin-4-amine
PubChem CID5469586
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC NameN-methyl-1H-imidazo[4,5-d]pyridazin-4-amine
SMILESCNc1nncc2[nH]cnc12
InChIInChI=1S/C6H7N5/c1-7-6-5-4(2-10-11-6)8-3-9-5/h2-3H,1H3,(H,7,11)(H,8,9)
InChIKeyBNGFPYLLQCQZQF-UHFFFAOYSA-N
XLogP0.39
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1H-imidazo[4,5-d]pyridazin-4-amine?
The IUPAC name of N-methyl-1H-imidazo[4,5-d]pyridazin-4-amine (CID 5469586) is N-methyl-1H-imidazo[4,5-d]pyridazin-4-amine.
What is the SMILES notation for N-methyl-1H-imidazo[4,5-d]pyridazin-4-amine?
The canonical SMILES for N-methyl-1H-imidazo[4,5-d]pyridazin-4-amine is CNc1nncc2[nH]cnc12.
What is the InChIKey of N-methyl-1H-imidazo[4,5-d]pyridazin-4-amine?
The InChIKey is BNGFPYLLQCQZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c1-7-6-5-4(2-10-11-6)8-3-9-5/h2-3H,1H3,(H,7,11)(H,8,9).
What are the key properties of N-methyl-1H-imidazo[4,5-d]pyridazin-4-amine?
N-methyl-1H-imidazo[4,5-d]pyridazin-4-amine has a molecular weight of 149.16 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1H-imidazo[4,5-d]pyridazin-4-amine is sourced from PubChem (CID 5469586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).