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

C11H16N6O — CID 78990679

IUPAC1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNc2ccc3nnnn3n2)CCCCC1
InChIInChI=1S/C11H16N6O/c18-11(6-2-1-3-7-11)8-12-9-4-5-10-13-15-16-17(10)14-9/h4-5,18H,1-3,6-8H2,(H,12,14)
InChIKeyQDYNLXKULPIDLU-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.63
Rot. Bonds3

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

1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol (PubChem CID 78990679) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol
PubChem CID78990679
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNc2ccc3nnnn3n2)CCCCC1
InChIInChI=1S/C11H16N6O/c18-11(6-2-1-3-7-11)8-12-9-4-5-10-13-15-16-17(10)14-9/h4-5,18H,1-3,6-8H2,(H,12,14)
InChIKeyQDYNLXKULPIDLU-UHFFFAOYSA-N
XLogP0.63
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(Trifluoromethyl)-1-[[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]cyclohexan-1-ol
CID 133502532
1-[[(3-Methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 133502611
N-[(2,2-difluorocyclohexyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 146092004
N-(2-cyclopentylethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 25609937
N-[(1-morpholin-4-ylcyclohexyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 16276085
N-(2-methylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 17484572
N-(4-methylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 24237355
4-(Tetrazolo[1,5-b]pyridazin-6-ylamino)cyclohexan-1-ol
CID 24590227
N-[(1S,2R)-2-methylcyclohexyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 25551977
N-[(1S,2S)-2-methylcyclohexyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 25551980
N-[(1R,2R)-2-methylcyclohexyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 25551983
N-[(1R,2S)-2-methylcyclohexyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 25551986

Frequently Asked Questions

What is the IUPAC name of 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol (CID 78990679) is 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol is OC1(CNc2ccc3nnnn3n2)CCCCC1.
What is the InChIKey of 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is QDYNLXKULPIDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c18-11(6-2-1-3-7-11)8-12-9-4-5-10-13-15-16-17(10)14-9/h4-5,18H,1-3,6-8H2,(H,12,14).
What are the key properties of 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol?
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 248.29 g/mol, XLogP of 0.63, 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]cyclohexan-1-ol is sourced from PubChem (CID 78990679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).