6-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C14H23F3N4 — CID 62283531

IUPAC6-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCCCN(CC(F)(F)F)c1ccc(CNC(C)(C)C)nn1
InChIInChI=1S/C14H23F3N4/c1-5-8-21(10-14(15,16)17)12-7-6-11(19-20-12)9-18-13(2,3)4/h6-7,18H,5,8-10H2,1-4H3
InChIKeyDMUKZLGEQCGMMS-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.14
Rot. Bonds6

About 6-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

6-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 62283531) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is 6-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID62283531
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC Name6-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCCCN(CC(F)(F)F)c1ccc(CNC(C)(C)C)nn1
InChIInChI=1S/C14H23F3N4/c1-5-8-21(10-14(15,16)17)12-7-6-11(19-20-12)9-18-13(2,3)4/h6-7,18H,5,8-10H2,1-4H3
InChIKeyDMUKZLGEQCGMMS-UHFFFAOYSA-N
XLogP3.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
CID 107379383
6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
CID 80638350
N-butan-2-yl-6-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridazin-3-amine
CID 62287757
N-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 55059729
[6-(dipropylamino)pyridazin-3-yl]methanol
CID 61252234
6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine
CID 79825411
6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine
CID 62283025
6-[(tert-butylamino)methyl]-N-cyclohexyl-N-ethylpyridazin-3-amine
CID 62279784
2-methyl-N-[(6-methylpyridazin-3-yl)methyl]propan-2-amine
CID 130987029
6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 62282477
2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol
CID 80630854
N-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 62284048

Frequently Asked Questions

What is the IUPAC name of 6-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 6-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 62283531) is 6-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 6-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 6-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is CCCN(CC(F)(F)F)c1ccc(CNC(C)(C)C)nn1.
What is the InChIKey of 6-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is DMUKZLGEQCGMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-5-8-21(10-14(15,16)17)12-7-6-11(19-20-12)9-18-13(2,3)4/h6-7,18H,5,8-10H2,1-4H3.
What are the key properties of 6-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
6-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 304.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 62283531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).