6-methyl-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine

C12H10F3N3 — CID 6402449

IUPAC6-methyl-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCc1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C12H10F3N3/c1-8-5-6-11(18-17-8)16-10-4-2-3-9(7-10)12(13,14)15/h2-7H,1H3,(H,16,18)
InChIKeyVQBGNKZBOLTIPN-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.55
Rot. Bonds2

About 6-methyl-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine

6-methyl-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (PubChem CID 6402449) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 6-methyl-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-methyl-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
PubChem CID6402449
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name6-methyl-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCc1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C12H10F3N3/c1-8-5-6-11(18-17-8)16-10-4-2-3-9(7-10)12(13,14)15/h2-7H,1H3,(H,16,18)
InChIKeyVQBGNKZBOLTIPN-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Jnj-37822681
CID 16058752
6-methyl-N-phenylpyridazin-3-amine
CID 2729644
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N,6-bis(4-fluorophenyl)pyridazin-3-amine
CID 6411189
N-(3-fluorophenyl)-6-(4-fluorophenyl)pyridazin-3-amine
CID 6411191
N-benzyl-N'-(3-methylphenyl)pyridazine-3,6-diamine
CID 6415561
N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine
CID 10713570
3-Methyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 2334902
N-[3-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-amine
CID 1489417
N,N-Dimethyl-N''-(4-methyl-6-phenyl-pyridazin-3-yl)-ethane-1,2-diamine
CID 6410805
N,N-Diethyl-N''-(4-methyl-6-phenyl-pyridazin-3-yl)-ethane-1,2-diamine
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3-(6-Piperidino-3-pyridazinyl)aniline
CID 82048492

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The IUPAC name of 6-methyl-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (CID 6402449) is 6-methyl-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.
What is the SMILES notation for 6-methyl-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The canonical SMILES for 6-methyl-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is Cc1ccc(Nc2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of 6-methyl-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The InChIKey is VQBGNKZBOLTIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c1-8-5-6-11(18-17-8)16-10-4-2-3-9(7-10)12(13,14)15/h2-7H,1H3,(H,16,18).
What are the key properties of 6-methyl-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
6-methyl-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine has a molecular weight of 253.23 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 6402449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).