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

C12H18N6O — CID 78993011

IUPAC1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNc2ccc3nnnn3n2)CCCCCC1
InChIInChI=1S/C12H18N6O/c19-12(7-3-1-2-4-8-12)9-13-10-5-6-11-14-16-17-18(11)15-10/h5-6,19H,1-4,7-9H2,(H,13,15)
InChIKeyWACOELKYEKYZHT-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.02
Rot. Bonds3

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

1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol (PubChem CID 78993011) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol
PubChem CID78993011
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNc2ccc3nnnn3n2)CCCCCC1
InChIInChI=1S/C12H18N6O/c19-12(7-3-1-2-4-8-12)9-13-10-5-6-11-14-16-17-18(11)15-10/h5-6,19H,1-4,7-9H2,(H,13,15)
InChIKeyWACOELKYEKYZHT-UHFFFAOYSA-N
XLogP1.02
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol
CID 78990679
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol
CID 115620433
N-[(1-methylcyclopropyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103725068
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
N-[(1-methoxycyclobutyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 113362466
6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282645
1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol
CID 79778673
1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone
CID 47280701
[1-(tetrazolo[1,5-b]pyridazin-6-ylamino)cyclopropyl]methanol
CID 115761255
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

Frequently Asked Questions

What is the IUPAC name of 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol (CID 78993011) is 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol is OC1(CNc2ccc3nnnn3n2)CCCCCC1.
What is the InChIKey of 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol?
The InChIKey is WACOELKYEKYZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c19-12(7-3-1-2-4-8-12)9-13-10-5-6-11-14-16-17-18(11)15-10/h5-6,19H,1-4,7-9H2,(H,13,15).
What are the key properties of 1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol?
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol has a molecular weight of 262.32 g/mol, XLogP of 1.02, 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]cycloheptan-1-ol is sourced from PubChem (CID 78993011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).