[3-[3-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine

C9H8F3N5 — CID 80509126

IUPAC[3-[3-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine
SMILESNCc1ccnnc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5/c10-9(11,12)7-2-4-17(16-7)8-6(5-13)1-3-14-15-8/h1-4H,5,13H2
InChIKeyFILPFOOJIILTKQ-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.14
Rot. Bonds2

About [3-[3-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine

[3-[3-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine (PubChem CID 80509126) has the molecular formula C9H8F3N5 and a molecular weight of 243.19 g/mol. Its IUPAC name is [3-[3-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-[3-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine
PubChem CID80509126
Molecular FormulaC9H8F3N5
Molecular Weight243.19 g/mol
Exact Mass243.07
IUPAC Name[3-[3-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine
SMILESNCc1ccnnc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5/c10-9(11,12)7-2-4-17(16-7)8-6(5-13)1-3-14-15-8/h1-4H,5,13H2
InChIKeyFILPFOOJIILTKQ-UHFFFAOYSA-N
XLogP1.14
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(aminomethyl)pyridazin-3-yl]-N,N-dimethylpyrazole-3-carboxamide
CID 80508051
[4-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine
CID 62287576
[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine
CID 113320436
[2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 79517436
[3-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methanol
CID 105067012
3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine
CID 81036576
[2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 114879817
[3-bromo-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 82797228
[3-(2,5-dimethylpiperidin-1-yl)pyridazin-4-yl]methanamine
CID 80509071
1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine
CID 62140435
[4-fluoro-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine
CID 64765568
[2-(4-chloropyrazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79869668

Frequently Asked Questions

What is the IUPAC name of [3-[3-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine?
The IUPAC name of [3-[3-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine (CID 80509126) is [3-[3-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine.
What is the SMILES notation for [3-[3-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine?
The canonical SMILES for [3-[3-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine is NCc1ccnnc1-n1ccc(C(F)(F)F)n1.
What is the InChIKey of [3-[3-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine?
The InChIKey is FILPFOOJIILTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5/c10-9(11,12)7-2-4-17(16-7)8-6(5-13)1-3-14-15-8/h1-4H,5,13H2.
What are the key properties of [3-[3-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine?
[3-[3-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine has a molecular weight of 243.19 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine is sourced from PubChem (CID 80509126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).