1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride

C8H7ClF3N5 — CID 169213532

IUPAC1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(-c2cccnn2)c1C(F)(F)F
InChIInChI=1S/C8H6F3N5.ClH/c9-8(10,11)7-5(12)4-14-16(7)6-2-1-3-13-15-6;/h1-4H,12H2;1H
InChIKeyRFDOQLVMJMVSJR-UHFFFAOYSA-N
MW265.63 g/mol
LogP1.69
Rot. Bonds1

About 1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride

1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride (PubChem CID 169213532) has the molecular formula C8H7ClF3N5 and a molecular weight of 265.63 g/mol. Its IUPAC name is 1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride
PubChem CID169213532
Molecular FormulaC8H7ClF3N5
Molecular Weight265.63 g/mol
Exact Mass265.03
IUPAC Name1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(-c2cccnn2)c1C(F)(F)F
InChIInChI=1S/C8H6F3N5.ClH/c9-8(10,11)7-5(12)4-14-16(7)6-2-1-3-13-15-6;/h1-4H,12H2;1H
InChIKeyRFDOQLVMJMVSJR-UHFFFAOYSA-N
XLogP1.69
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.63
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride (CID 169213532) is 1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride is Cl.Nc1cnn(-c2cccnn2)c1C(F)(F)F.
What is the InChIKey of 1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The InChIKey is RFDOQLVMJMVSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5.ClH/c9-8(10,11)7-5(12)4-14-16(7)6-2-1-3-13-15-6;/h1-4H,12H2;1H.
What are the key properties of 1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride has a molecular weight of 265.63 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 169213532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).