N-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine

C8H10F3N3 — CID 104854489

IUPACN-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine
SMILESCC(CC(F)(F)F)Nc1cccnn1
InChIInChI=1S/C8H10F3N3/c1-6(5-8(9,10)11)13-7-3-2-4-12-14-7/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyHESWBQKRSPTIBU-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.23
Rot. Bonds3

About N-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine

N-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine (PubChem CID 104854489) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine
PubChem CID104854489
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC NameN-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine
SMILESCC(CC(F)(F)F)Nc1cccnn1
InChIInChI=1S/C8H10F3N3/c1-6(5-8(9,10)11)13-7-3-2-4-12-14-7/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyHESWBQKRSPTIBU-UHFFFAOYSA-N
XLogP2.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Piperazin-1-yl)pyridazine
CID 11064965
N-methyl-1-(pyridazin-3-yl)piperidin-4-amine
CID 54594801
N-methylpyridazin-3-amine
CID 19831906
N1-(pyridazin-3-yl)ethane-1,2-diamine
CID 22118660
N-Cyclopropylpyridazin-3-amine
CID 62482225
1-(Pyridazin-3-yl)azetidin-3-amine dihydrochloride
CID 91623883
(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine
CID 94476470
N-methyl-N-(piperidin-4-yl)pyridazin-3-amine dihydrobromide
CID 54593964
Methyl({[1-(pyridazin-3-yl)pyrrolidin-2-yl]methyl})amine dihydrobromide
CID 54594366
N1-(pyridazin-3-yl)ethane-1,2-diamine dihydrochloride
CID 121209039
N-ethylpyridazin-3-amine
CID 12446652
3-Butylaminopyridazine
CID 62483243

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine?
The IUPAC name of N-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine (CID 104854489) is N-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine?
The canonical SMILES for N-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine is CC(CC(F)(F)F)Nc1cccnn1.
What is the InChIKey of N-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine?
The InChIKey is HESWBQKRSPTIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-6(5-8(9,10)11)13-7-3-2-4-12-14-7/h2-4,6H,5H2,1H3,(H,13,14).
What are the key properties of N-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine?
N-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine has a molecular weight of 205.18 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine is sourced from PubChem (CID 104854489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).