N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine

C13H12F3N3 — CID 62201435

IUPACN-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCCNc1ccc(-c2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C13H12F3N3/c1-2-17-12-7-6-11(18-19-12)9-4-3-5-10(8-9)13(14,15)16/h3-8H,2H2,1H3,(H,17,19)
InChIKeyPHWQUBOLXHJTGD-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.59
Rot. Bonds3

About N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine

N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (PubChem CID 62201435) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
PubChem CID62201435
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC NameN-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCCNc1ccc(-c2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C13H12F3N3/c1-2-17-12-7-6-11(18-19-12)9-4-3-5-10(8-9)13(14,15)16/h3-8H,2H2,1H3,(H,17,19)
InChIKeyPHWQUBOLXHJTGD-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 71528502
6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine
CID 62201604
6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine
CID 62202156
6-(3-bromophenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716853
5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 116973198
5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
CID 178030422
2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine
CID 58432818
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol
CID 116971327
N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine
CID 116970734
6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine
CID 116973196
2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41159278
N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(3-isocyanophenyl)pyridazin-3-amine
CID 140812284

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The IUPAC name of N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (CID 62201435) is N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.
What is the SMILES notation for N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The canonical SMILES for N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is CCNc1ccc(-c2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The InChIKey is PHWQUBOLXHJTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-2-17-12-7-6-11(18-19-12)9-4-3-5-10(8-9)13(14,15)16/h3-8H,2H2,1H3,(H,17,19).
What are the key properties of N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine has a molecular weight of 267.25 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 62201435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).