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

C9H8F3N5 — CID 143484654

IUPAC6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
SMILESCc1cc(C(F)(F)F)n(-c2ccc(N)nn2)n1
InChIInChI=1S/C9H8F3N5/c1-5-4-6(9(10,11)12)17(16-5)8-3-2-7(13)14-15-8/h2-4H,1H3,(H2,13,14)
InChIKeyBMKNOTHVTRSJJT-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.57
Rot. Bonds1

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

6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine (PubChem CID 143484654) has the molecular formula C9H8F3N5 and a molecular weight of 243.19 g/mol. Its IUPAC name is 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
PubChem CID143484654
Molecular FormulaC9H8F3N5
Molecular Weight243.19 g/mol
Exact Mass243.07
IUPAC Name6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
SMILESCc1cc(C(F)(F)F)n(-c2ccc(N)nn2)n1
InChIInChI=1S/C9H8F3N5/c1-5-4-6(9(10,11)12)17(16-5)8-3-2-7(13)14-15-8/h2-4H,1H3,(H2,13,14)
InChIKeyBMKNOTHVTRSJJT-UHFFFAOYSA-N
XLogP1.57
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?
The IUPAC name of 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine (CID 143484654) is 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine.
What is the SMILES notation for 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?
The canonical SMILES for 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine is Cc1cc(C(F)(F)F)n(-c2ccc(N)nn2)n1.
What is the InChIKey of 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?
The InChIKey is BMKNOTHVTRSJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5/c1-5-4-6(9(10,11)12)17(16-5)8-3-2-7(13)14-15-8/h2-4H,1H3,(H2,13,14).
What are the key properties of 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?
6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine has a molecular weight of 243.19 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine is sourced from PubChem (CID 143484654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).