[5,6-dimethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-4-yl]methanamine

C13H17F3N4 — CID 114489491

IUPAC[5,6-dimethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-4-yl]methanamine
SMILESCc1nnc(N2CC=C(C(F)(F)F)CC2)c(CN)c1C
InChIInChI=1S/C13H17F3N4/c1-8-9(2)18-19-12(11(8)7-17)20-5-3-10(4-6-20)13(14,15)16/h3H,4-7,17H2,1-2H3
InChIKeyAENVTNLXBGIIDI-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.25
Rot. Bonds2

About [5,6-dimethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-4-yl]methanamine

[5,6-dimethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-4-yl]methanamine (PubChem CID 114489491) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is [5,6-dimethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-dimethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-4-yl]methanamine
PubChem CID114489491
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name[5,6-dimethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-4-yl]methanamine
SMILESCc1nnc(N2CC=C(C(F)(F)F)CC2)c(CN)c1C
InChIInChI=1S/C13H17F3N4/c1-8-9(2)18-19-12(11(8)7-17)20-5-3-10(4-6-20)13(14,15)16/h3H,4-7,17H2,1-2H3
InChIKeyAENVTNLXBGIIDI-UHFFFAOYSA-N
XLogP2.25
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[5,6-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-4-yl]methanamine
CID 114459754
[6-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanamine
CID 114489453
[5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol
CID 114490322
3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine
CID 113338983
[3-(4,4-diethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine
CID 63156347
2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62886758
[2-ethylsulfanyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine
CID 114489474
1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-N,N-diethylpyrrolidin-3-amine
CID 63171526
[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine
CID 114489498
4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-1,4-diazepan-2-one
CID 65360969
(2S)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 130523166
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114490242

Frequently Asked Questions

What is the IUPAC name of [5,6-dimethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-dimethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-4-yl]methanamine (CID 114489491) is [5,6-dimethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-dimethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-dimethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-4-yl]methanamine is Cc1nnc(N2CC=C(C(F)(F)F)CC2)c(CN)c1C.
What is the InChIKey of [5,6-dimethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-4-yl]methanamine?
The InChIKey is AENVTNLXBGIIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c1-8-9(2)18-19-12(11(8)7-17)20-5-3-10(4-6-20)13(14,15)16/h3H,4-7,17H2,1-2H3.
What are the key properties of [5,6-dimethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-4-yl]methanamine?
[5,6-dimethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-4-yl]methanamine has a molecular weight of 286.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-4-yl]methanamine is sourced from PubChem (CID 114489491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).