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

C9H8F3N5 — CID 80507924

IUPAC[3-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine
SMILESNCc1ccnnc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C9H8F3N5/c10-9(11,12)7-4-15-17(5-7)8-6(3-13)1-2-14-16-8/h1-2,4-5H,3,13H2
InChIKeyRIAQUHNOSORFPT-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.14
Rot. Bonds2

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

[3-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine (PubChem CID 80507924) has the molecular formula C9H8F3N5 and a molecular weight of 243.19 g/mol. Its IUPAC name is [3-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine
PubChem CID80507924
Molecular FormulaC9H8F3N5
Molecular Weight243.19 g/mol
Exact Mass243.07
IUPAC Name[3-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine
SMILESNCc1ccnnc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C9H8F3N5/c10-9(11,12)7-4-15-17(5-7)8-6(3-13)1-2-14-16-8/h1-2,4-5H,3,13H2
InChIKeyRIAQUHNOSORFPT-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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Frequently Asked Questions

What is the IUPAC name of [3-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine?
The IUPAC name of [3-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine (CID 80507924) is [3-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine.
What is the SMILES notation for [3-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine?
The canonical SMILES for [3-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine is NCc1ccnnc1-n1cc(C(F)(F)F)cn1.
What is the InChIKey of [3-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine?
The InChIKey is RIAQUHNOSORFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5/c10-9(11,12)7-4-15-17(5-7)8-6(3-13)1-2-14-16-8/h1-2,4-5H,3,13H2.
What are the key properties of [3-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine?
[3-[4-(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-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine is sourced from PubChem (CID 80507924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).