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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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).