8-methylimidazo[1,2-b]pyridazine;8-methylimidazo[1,2-c]pyrimidine;4-methyl-1,7-naphthyridine;4-methylpyrrolo[1,2-b]pyridazine

C31H30N10 — CID 167615679

IUPAC8-methylimidazo[1,2-b]pyridazine;8-methylimidazo[1,2-c]pyrimidine;4-methyl-1,7-naphthyridine;4-methylpyrrolo[1,2-b]pyridazine
SMILESCc1ccnc2cnccc12.Cc1ccnn2cccc12.Cc1ccnn2ccnc12.Cc1cncn2ccnc12
InChIInChI=1S/C9H8N2.C8H8N2.2C7H7N3/c1-7-2-5-11-9-6-10-4-3-8(7)9;1-7-4-5-9-10-6-2-3-8(7)10;1-6-4-8-5-10-3-2-9-7(6)10;1-6-2-3-9-10-5-4-8-7(6)10/h2-6H,1H3;2-6H,1H3;2*2-5H,1H3
InChIKeyLRYIJSQEDQVVAQ-UHFFFAOYSA-N
MW542.65 g/mol
LogP5.66
Rot. Bonds

About 8-methylimidazo[1,2-b]pyridazine;8-methylimidazo[1,2-c]pyrimidine;4-methyl-1,7-naphthyridine;4-methylpyrrolo[1,2-b]pyridazine

8-methylimidazo[1,2-b]pyridazine;8-methylimidazo[1,2-c]pyrimidine;4-methyl-1,7-naphthyridine;4-methylpyrrolo[1,2-b]pyridazine (PubChem CID 167615679) has the molecular formula C31H30N10 and a molecular weight of 542.65 g/mol. Its IUPAC name is 8-methylimidazo[1,2-b]pyridazine;8-methylimidazo[1,2-c]pyrimidine;4-methyl-1,7-naphthyridine;4-methylpyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name8-methylimidazo[1,2-b]pyridazine;8-methylimidazo[1,2-c]pyrimidine;4-methyl-1,7-naphthyridine;4-methylpyrrolo[1,2-b]pyridazine
PubChem CID167615679
Molecular FormulaC31H30N10
Molecular Weight542.65 g/mol
Exact Mass542.27
IUPAC Name8-methylimidazo[1,2-b]pyridazine;8-methylimidazo[1,2-c]pyrimidine;4-methyl-1,7-naphthyridine;4-methylpyrrolo[1,2-b]pyridazine
SMILESCc1ccnc2cnccc12.Cc1ccnn2cccc12.Cc1ccnn2ccnc12.Cc1cncn2ccnc12
InChIInChI=1S/C9H8N2.C8H8N2.2C7H7N3/c1-7-2-5-11-9-6-10-4-3-8(7)9;1-7-4-5-9-10-6-2-3-8(7)10;1-6-4-8-5-10-3-2-9-7(6)10;1-6-2-3-9-10-5-4-8-7(6)10/h2-6H,1H3;2-6H,1H3;2*2-5H,1H3
InChIKeyLRYIJSQEDQVVAQ-UHFFFAOYSA-N
XLogP5.66
TPSA103.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.65
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 8-methylimidazo[1,2-b]pyridazine;8-methylimidazo[1,2-c]pyrimidine;4-methyl-1,7-naphthyridine;4-methylpyrrolo[1,2-b]pyridazine with MolForge

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Related Compounds

ethane;8-methylimidazo[1,2-b]pyridazine
CID 163275224
4-methylimidazo[1,5-b]pyridazine
CID 57010860
3,4-dimethylpyrazolo[1,5-c]pyrimidine;4-methylpyrazolo[1,5-c]pyrimidine
CID 164959418
4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrazine
CID 126933976
imidazo[1,2-c]pyrimidine-8-thiol
CID 155755374
ethane;4-methylpyrazolo[1,5-a]pyrazine
CID 145108173
8-fluoroimidazo[1,2-c]pyrimidine
CID 67486651
(4-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyridin-3-ylmethanol
CID 103129010
ethane;8-methylimidazo[1,2-b]pyridazine;N-(2-prop-1-en-2-ylpyrazol-3-yl)methanimine
CID 144514706
ethane;4-methylquinoline
CID 90853056
argon;4-methylquinoline
CID 175059803
(4-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103124905

Frequently Asked Questions

What is the IUPAC name of 8-methylimidazo[1,2-b]pyridazine;8-methylimidazo[1,2-c]pyrimidine;4-methyl-1,7-naphthyridine;4-methylpyrrolo[1,2-b]pyridazine?
The IUPAC name of 8-methylimidazo[1,2-b]pyridazine;8-methylimidazo[1,2-c]pyrimidine;4-methyl-1,7-naphthyridine;4-methylpyrrolo[1,2-b]pyridazine (CID 167615679) is 8-methylimidazo[1,2-b]pyridazine;8-methylimidazo[1,2-c]pyrimidine;4-methyl-1,7-naphthyridine;4-methylpyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 8-methylimidazo[1,2-b]pyridazine;8-methylimidazo[1,2-c]pyrimidine;4-methyl-1,7-naphthyridine;4-methylpyrrolo[1,2-b]pyridazine?
The canonical SMILES for 8-methylimidazo[1,2-b]pyridazine;8-methylimidazo[1,2-c]pyrimidine;4-methyl-1,7-naphthyridine;4-methylpyrrolo[1,2-b]pyridazine is Cc1ccnc2cnccc12.Cc1ccnn2cccc12.Cc1ccnn2ccnc12.Cc1cncn2ccnc12.
What is the InChIKey of 8-methylimidazo[1,2-b]pyridazine;8-methylimidazo[1,2-c]pyrimidine;4-methyl-1,7-naphthyridine;4-methylpyrrolo[1,2-b]pyridazine?
The InChIKey is LRYIJSQEDQVVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C8H8N2.2C7H7N3/c1-7-2-5-11-9-6-10-4-3-8(7)9;1-7-4-5-9-10-6-2-3-8(7)10;1-6-4-8-5-10-3-2-9-7(6)10;1-6-2-3-9-10-5-4-8-7(6)10/h2-6H,1H3;2-6H,1H3;2*2-5H,1H3.
What are the key properties of 8-methylimidazo[1,2-b]pyridazine;8-methylimidazo[1,2-c]pyrimidine;4-methyl-1,7-naphthyridine;4-methylpyrrolo[1,2-b]pyridazine?
8-methylimidazo[1,2-b]pyridazine;8-methylimidazo[1,2-c]pyrimidine;4-methyl-1,7-naphthyridine;4-methylpyrrolo[1,2-b]pyridazine has a molecular weight of 542.65 g/mol, XLogP of 5.66, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylimidazo[1,2-b]pyridazine;8-methylimidazo[1,2-c]pyrimidine;4-methyl-1,7-naphthyridine;4-methylpyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 167615679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).