N,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine

C12H19F3N4 — CID 99838529

IUPACN,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine
SMILESCC(C)N(CCN(C)C)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C12H19F3N4/c1-9(2)19(8-7-18(3)4)11-6-5-10(16-17-11)12(13,14)15/h5-6,9H,7-8H2,1-4H3
InChIKeyCJLINOURZFLXKZ-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.27
Rot. Bonds5

About N,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine

N,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine (PubChem CID 99838529) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is N,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine
PubChem CID99838529
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC NameN,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine
SMILESCC(C)N(CCN(C)C)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C12H19F3N4/c1-9(2)19(8-7-18(3)4)11-6-5-10(16-17-11)12(13,14)15/h5-6,9H,7-8H2,1-4H3
InChIKeyCJLINOURZFLXKZ-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine with MolForge

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Related Compounds

N-ethyl-6-methylpyridazin-3-amine
CID 52092805
1-(6-Methylpyridazin-3-yl)piperidin-3-amine
CID 53532673
1-(Cyclopropylmethyl)-2-isopropyl-4-(6-methylpyridazin-3-YL)-1,4-diazepane
CID 56863949
N-(3-methylbut-2-enyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 72144296
1-(6-Methylpyridazin-3-yl)-1,4-diazepane
CID 22478609
1-(6-Methylpyridazin-3-yl)-1,4-diazepane dihydrobromide
CID 54593049
N,6-dimethyl-N-(piperidin-4-yl)pyridazin-3-amine hydrobromide
CID 54593803
3-methyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyridazine
CID 97437928
(2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine
CID 125440775
(2S)-2-N,2-N-dimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)pentane-1,2-diamine
CID 125447545
3-[4-(2-Methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine
CID 136519197
2,2-Dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile
CID 136522122

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine (CID 99838529) is N,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine is CC(C)N(CCN(C)C)c1ccc(C(F)(F)F)nn1.
What is the InChIKey of N,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine?
The InChIKey is CJLINOURZFLXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-9(2)19(8-7-18(3)4)11-6-5-10(16-17-11)12(13,14)15/h5-6,9H,7-8H2,1-4H3.
What are the key properties of N,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine?
N,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine has a molecular weight of 276.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 99838529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).