N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine

C12H17F3N4 — CID 71908084

IUPACN-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCN1CCCC(N(C)c2ccc(C(F)(F)F)nn2)C1
InChIInChI=1S/C12H17F3N4/c1-18-7-3-4-9(8-18)19(2)11-6-5-10(16-17-11)12(13,14)15/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyDNTFKVWQTWLTFR-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.03
Rot. Bonds2

About N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine

N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 71908084) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID71908084
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC NameN-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCN1CCCC(N(C)c2ccc(C(F)(F)F)nn2)C1
InChIInChI=1S/C12H17F3N4/c1-18-7-3-4-9(8-18)19(2)11-6-5-10(16-17-11)12(13,14)15/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyDNTFKVWQTWLTFR-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine
CID 62547013
6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715838
2-methyl-6-[6-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
CID 170381570
N-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 133433754
5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 55084380
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 62545515
4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80832213
2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile
CID 62547856
6-hydrazinyl-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 80919138
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
CID 126922829
N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine
CID 71154860
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-propoxypyridine-2,5-diamine
CID 62547989

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine (CID 71908084) is N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine is CN1CCCC(N(C)c2ccc(C(F)(F)F)nn2)C1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is DNTFKVWQTWLTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-18-7-3-4-9(8-18)19(2)11-6-5-10(16-17-11)12(13,14)15/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine?
N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 274.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 71908084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).