N-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine

C11H12N6 — CID 126672825

IUPACN-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCNc1ccc2ncc(-c3cnn(C)c3)n2n1
InChIInChI=1S/C11H12N6/c1-12-10-3-4-11-13-6-9(17(11)15-10)8-5-14-16(2)7-8/h3-7H,1-2H3,(H,12,15)
InChIKeyIMMVAWGJQPGOKZ-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.17
Rot. Bonds2

About N-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine

N-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 126672825) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID126672825
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCNc1ccc2ncc(-c3cnn(C)c3)n2n1
InChIInChI=1S/C11H12N6/c1-12-10-3-4-11-13-6-9(17(11)15-10)8-5-14-16(2)7-8/h3-7H,1-2H3,(H,12,15)
InChIKeyIMMVAWGJQPGOKZ-UHFFFAOYSA-N
XLogP1.17
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 126672825) is N-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine is CNc1ccc2ncc(-c3cnn(C)c3)n2n1.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is IMMVAWGJQPGOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-12-10-3-4-11-13-6-9(17(11)15-10)8-5-14-16(2)7-8/h3-7H,1-2H3,(H,12,15).
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine?
N-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 228.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126672825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).