1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol

C9H12N6O — CID 115620433

IUPAC1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol
SMILESOC1(CNc2ccc3nnnn3n2)CCC1
InChIInChI=1S/C9H12N6O/c16-9(4-1-5-9)6-10-7-2-3-8-11-13-14-15(8)12-7/h2-3,16H,1,4-6H2,(H,10,12)
InChIKeyJSSYMGLIUZIWMJ-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.15
Rot. Bonds3

About 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol

1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol (PubChem CID 115620433) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol
PubChem CID115620433
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol
SMILESOC1(CNc2ccc3nnnn3n2)CCC1
InChIInChI=1S/C9H12N6O/c16-9(4-1-5-9)6-10-7-2-3-8-11-13-14-15(8)12-7/h2-3,16H,1,4-6H2,(H,10,12)
InChIKeyJSSYMGLIUZIWMJ-UHFFFAOYSA-N
XLogP-0.15
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol
CID 78993011
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol
CID 78990679
N-[(1-methylcyclopropyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103725068
N-[(1-methoxycyclobutyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 113362466
N-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 113257468
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 47070615
[1-(tetrazolo[1,5-b]pyridazin-6-ylamino)cyclopropyl]methanol
CID 115761255
1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone
CID 47280701
N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 47983075
N-(2,2-dimethylbutyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 103462537
6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282645
N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 113222142

Frequently Asked Questions

What is the IUPAC name of 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol (CID 115620433) is 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol is OC1(CNc2ccc3nnnn3n2)CCC1.
What is the InChIKey of 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol?
The InChIKey is JSSYMGLIUZIWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c16-9(4-1-5-9)6-10-7-2-3-8-11-13-14-15(8)12-7/h2-3,16H,1,4-6H2,(H,10,12).
What are the key properties of 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol?
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol has a molecular weight of 220.24 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 115620433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).