N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine

C16H18FN7 — CID 56791945

IUPACN-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCc1cc(F)ccc1N1CCCC(Nc2ccc3nnnn3n2)C1
InChIInChI=1S/C16H18FN7/c1-11-9-12(17)4-5-14(11)23-8-2-3-13(10-23)18-15-6-7-16-19-21-22-24(16)20-15/h4-7,9,13H,2-3,8,10H2,1H3,(H,18,20)
InChIKeyDSYVJZARYBMBIL-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.05
Rot. Bonds3

About N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine

N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 56791945) has the molecular formula C16H18FN7 and a molecular weight of 327.37 g/mol. Its IUPAC name is N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID56791945
Molecular FormulaC16H18FN7
Molecular Weight327.37 g/mol
Exact Mass327.16
IUPAC NameN-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCc1cc(F)ccc1N1CCCC(Nc2ccc3nnnn3n2)C1
InChIInChI=1S/C16H18FN7/c1-11-9-12(17)4-5-14(11)23-8-2-3-13(10-23)18-15-6-7-16-19-21-22-24(16)20-15/h4-7,9,13H,2-3,8,10H2,1H3,(H,18,20)
InChIKeyDSYVJZARYBMBIL-UHFFFAOYSA-N
XLogP2.05
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Jnj-37822681
CID 16058752
3-[[3-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propyl-dipropyl-amine
CID 9550643
6-Fluoro-1-(1-(6-(p-tolyl)pyridazin-3-yl)piperidin-4-yl)indoline
CID 76314720
6-Fluoro-1-(1-(6-(4-fluorophenyl)pyridazin-3-yl)piperidin-4-yl)indoline
CID 76332827
[2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-ethyl]-(5-methyl-6-phenyl-pyridazin-3-yl)-amine
CID 11723664
N-(piperidin-3-yl)-3-(3-(trifluoromethyl)phenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 44573835
N-(1-methylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 44573866
6-[4-(2,6-Dimethylphenyl)piperazino]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 1479660
(4-Methyl-6-phenyl-pyridazin-3-yl)-(2-piperidin-1-yl-ethyl)-amine; hydrochloride
CID 3088563
6-N-benzyl-6-N,3-dimethyl-8-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine
CID 73890918
6-N-[(4-fluorophenyl)methyl]-6-N,8-N,3-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine
CID 75201633
N6-Benzyl-N8-(1-ethyl-piperidin-4-yl)-3,N6-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine
CID 75201877

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine (CID 56791945) is N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine is Cc1cc(F)ccc1N1CCCC(Nc2ccc3nnnn3n2)C1.
What is the InChIKey of N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is DSYVJZARYBMBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN7/c1-11-9-12(17)4-5-14(11)23-8-2-3-13(10-23)18-15-6-7-16-19-21-22-24(16)20-15/h4-7,9,13H,2-3,8,10H2,1H3,(H,18,20).
What are the key properties of N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 327.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 56791945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).