N-(3,3,3-trifluoropropyl)pyridazin-3-amine

C7H8F3N3 — CID 63226885

IUPACN-(3,3,3-trifluoropropyl)pyridazin-3-amine
SMILESFC(F)(F)CCNc1cccnn1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)3-5-11-6-2-1-4-12-13-6/h1-2,4H,3,5H2,(H,11,13)
InChIKeyQXNRMOUCSSLNIU-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.84
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)pyridazin-3-amine

N-(3,3,3-trifluoropropyl)pyridazin-3-amine (PubChem CID 63226885) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)pyridazin-3-amine
PubChem CID63226885
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC NameN-(3,3,3-trifluoropropyl)pyridazin-3-amine
SMILESFC(F)(F)CCNc1cccnn1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)3-5-11-6-2-1-4-12-13-6/h1-2,4H,3,5H2,(H,11,13)
InChIKeyQXNRMOUCSSLNIU-UHFFFAOYSA-N
XLogP1.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)pyridazin-3-amine (CID 63226885) is N-(3,3,3-trifluoropropyl)pyridazin-3-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)pyridazin-3-amine is FC(F)(F)CCNc1cccnn1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
The InChIKey is QXNRMOUCSSLNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c8-7(9,10)3-5-11-6-2-1-4-12-13-6/h1-2,4H,3,5H2,(H,11,13).
What are the key properties of N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
N-(3,3,3-trifluoropropyl)pyridazin-3-amine has a molecular weight of 191.16 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)pyridazin-3-amine is sourced from PubChem (CID 63226885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).