N-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine

C17H19FN6 — CID 47070615

IUPACN-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESFc1ccc(C2(CNc3ccc4nnnn4n3)CCCCC2)cc1
InChIInChI=1S/C17H19FN6/c18-14-6-4-13(5-7-14)17(10-2-1-3-11-17)12-19-15-8-9-16-20-22-23-24(16)21-15/h4-9H,1-3,10-12H2,(H,19,21)
InChIKeyHGOSVGNQVWZFCY-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.97
Rot. Bonds4

About N-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 47070615) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID47070615
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC NameN-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESFc1ccc(C2(CNc3ccc4nnnn4n3)CCCCC2)cc1
InChIInChI=1S/C17H19FN6/c18-14-6-4-13(5-7-14)17(10-2-1-3-11-17)12-19-15-8-9-16-20-22-23-24(16)21-15/h4-9H,1-3,10-12H2,(H,19,21)
InChIKeyHGOSVGNQVWZFCY-UHFFFAOYSA-N
XLogP2.97
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 47983075
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-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 113257468
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol
CID 115620433
N-[(1-methoxycyclobutyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 113362466
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 60570241
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970433
1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 58954797
N-(2,2-dimethylbutyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 103462537
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918202
1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine
CID 110930692

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 47070615) is N-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine is Fc1ccc(C2(CNc3ccc4nnnn4n3)CCCCC2)cc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is HGOSVGNQVWZFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6/c18-14-6-4-13(5-7-14)17(10-2-1-3-11-17)12-19-15-8-9-16-20-22-23-24(16)21-15/h4-9H,1-3,10-12H2,(H,19,21).
What are the key properties of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 326.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 47070615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).