4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C10H15F3N4 — CID 80508750

IUPAC4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCC(C)N(CC(F)(F)F)c1nnccc1CN
InChIInChI=1S/C10H15F3N4/c1-7(2)17(6-10(11,12)13)9-8(5-14)3-4-15-16-9/h3-4,7H,5-6,14H2,1-2H3
InChIKeyRGNWUWWSHOGVHA-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.71
Rot. Bonds4

About 4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 80508750) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID80508750
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCC(C)N(CC(F)(F)F)c1nnccc1CN
InChIInChI=1S/C10H15F3N4/c1-7(2)17(6-10(11,12)13)9-8(5-14)3-4-15-16-9/h3-4,7H,5-6,14H2,1-2H3
InChIKeyRGNWUWWSHOGVHA-UHFFFAOYSA-N
XLogP1.71
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(pyridazin-3-yl)piperidin-4-amine
CID 54594801
3-Butylaminopyridazine
CID 62483243
N-Methyl-N-(piperidin-4-yl)pyridazin-3-amine
CID 54593965
1-(Pyridazin-3-yl)azetidin-3-amine
CID 63760187
3-(Piperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 69039149
3-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 70812437
3-(3,4-Dimethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 70812916
(1S,4S)-2-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.1]heptane
CID 89823501
2-Methyl-5-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.0]hexane
CID 123329305
3-(4-Isopropylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 124083985
3-(4-Iodopiperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 124085805
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pyridazine
CID 126857246

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 80508750) is 4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is CC(C)N(CC(F)(F)F)c1nnccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is RGNWUWWSHOGVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-7(2)17(6-10(11,12)13)9-8(5-14)3-4-15-16-9/h3-4,7H,5-6,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 248.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 80508750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).