6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-7H-purine

C17H21N7 — CID 156867510

IUPAC6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-7H-purine
SMILESCC(C)c1ccc2nccn2n1.CC(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C9H11N3.C8H10N4/c1-7(2)8-3-4-9-10-5-6-12(9)11-8;1-5(2)6-7-8(11-3-9-6)12-4-10-7/h3-7H,1-2H3;3-5H,1-2H3,(H,9,10,11,12)
InChIKeyHUJZMPFFDGKVFG-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.33
Rot. Bonds2

About 6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-7H-purine

6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-7H-purine (PubChem CID 156867510) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-7H-purine.

Molecular Properties

Compound Name6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-7H-purine
PubChem CID156867510
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-7H-purine
SMILESCC(C)c1ccc2nccn2n1.CC(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C9H11N3.C8H10N4/c1-7(2)8-3-4-9-10-5-6-12(9)11-8;1-5(2)6-7-8(11-3-9-6)12-4-10-7/h3-7H,1-2H3;3-5H,1-2H3,(H,9,10,11,12)
InChIKeyHUJZMPFFDGKVFG-UHFFFAOYSA-N
XLogP3.33
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

molecular hydrogen;6-propan-2-yl-7H-purine
CID 171499387
1-(7H-purin-6-yl)ethanol
CID 18670461
6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium
CID 176927745
N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 61397737
2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 59747998
6-decan-5-ylimidazo[1,2-b]pyridazine
CID 139513754
2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane)
CID 165080148
4,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine
CID 59224806
1-(7H-purin-6-yl)propane-1,2,3-triol
CID 170818005
(2R)-2-(7H-purin-6-ylsulfanyl)propanoate
CID 7644850
2-propan-2-ylimidazo[2,1-f][1,2,4]triazine
CID 171511763
N-(1-methylpyrazol-3-yl)-7H-purin-6-amine
CID 79778598

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-7H-purine?
The IUPAC name of 6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-7H-purine (CID 156867510) is 6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-7H-purine.
What is the SMILES notation for 6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-7H-purine?
The canonical SMILES for 6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-7H-purine is CC(C)c1ccc2nccn2n1.CC(C)c1ncnc2nc[nH]c12.
What is the InChIKey of 6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-7H-purine?
The InChIKey is HUJZMPFFDGKVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.C8H10N4/c1-7(2)8-3-4-9-10-5-6-12(9)11-8;1-5(2)6-7-8(11-3-9-6)12-4-10-7/h3-7H,1-2H3;3-5H,1-2H3,(H,9,10,11,12).
What are the key properties of 6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-7H-purine?
6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-7H-purine has a molecular weight of 323.40 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-7H-purine is sourced from PubChem (CID 156867510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).