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

C8H11F3N4 — CID 80507440

IUPAC4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCN(CC(F)(F)F)c1nnccc1CN
InChIInChI=1S/C8H11F3N4/c1-15(5-8(9,10)11)7-6(4-12)2-3-13-14-7/h2-3H,4-5,12H2,1H3
InChIKeyHIRVPCQGSLJWQW-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.93
Rot. Bonds3

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

4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 80507440) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID80507440
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCN(CC(F)(F)F)c1nnccc1CN
InChIInChI=1S/C8H11F3N4/c1-15(5-8(9,10)11)7-6(4-12)2-3-13-14-7/h2-3H,4-5,12H2,1H3
InChIKeyHIRVPCQGSLJWQW-UHFFFAOYSA-N
XLogP0.93
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Piperazin-1-yl)pyridazine
CID 11064965
3-[Methyl(prop-2-yn-1-yl)amino]pyridazine-4-carbonitrile
CID 81797982
N-ethylpyridazin-3-amine
CID 12446652
3-Butylaminopyridazine
CID 62483243
N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine
CID 126818890
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
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-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 80507440) is 4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is CN(CC(F)(F)F)c1nnccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is HIRVPCQGSLJWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c1-15(5-8(9,10)11)7-6(4-12)2-3-13-14-7/h2-3H,4-5,12H2,1H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 220.20 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 80507440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).