[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine

C11H12F3N5 — CID 137377843

IUPAC[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine
SMILESCc1cc(CN)nnc1-c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C11H12F3N5/c1-6-3-7(4-15)16-17-9(6)8-5-19(2)18-10(8)11(12,13)14/h3,5H,4,15H2,1-2H3
InChIKeyISQYHIVTGMTLNQ-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.66
Rot. Bonds2

About [5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine

[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine (PubChem CID 137377843) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is [5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine
PubChem CID137377843
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine
SMILESCc1cc(CN)nnc1-c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C11H12F3N5/c1-6-3-7(4-15)16-17-9(6)8-5-19(2)18-10(8)11(12,13)14/h3,5H,4,15H2,1-2H3
InChIKeyISQYHIVTGMTLNQ-UHFFFAOYSA-N
XLogP1.66
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
5-(Pyridine-4-Yl)-3-(Trifluoromethyl)Pyrazole
CID 2822970
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
4-[3-(4-Fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridine
CID 22037373
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45268355

Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine?
The IUPAC name of [5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine (CID 137377843) is [5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine.
What is the SMILES notation for [5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine?
The canonical SMILES for [5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine is Cc1cc(CN)nnc1-c1cn(C)nc1C(F)(F)F.
What is the InChIKey of [5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine?
The InChIKey is ISQYHIVTGMTLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c1-6-3-7(4-15)16-17-9(6)8-5-19(2)18-10(8)11(12,13)14/h3,5H,4,15H2,1-2H3.
What are the key properties of [5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine?
[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine has a molecular weight of 271.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine is sourced from PubChem (CID 137377843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).