4-methyl-6-propan-2-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine

C17H20F3N3 — CID 121313798

IUPAC4-methyl-6-propan-2-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine
SMILESCc1cc(C(C)C)nnc1N[C@@H](C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H20F3N3/c1-10(2)15-9-11(3)16(23-22-15)21-12(4)13-5-7-14(8-6-13)17(18,19)20/h5-10,12H,1-4H3,(H,21,23)/t12-/m0/s1
InChIKeyIBZCZDHFQJVYBY-LBPRGKRZSA-N
MW323.36 g/mol
LogP5.10
Rot. Bonds4

About 4-methyl-6-propan-2-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine

4-methyl-6-propan-2-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine (PubChem CID 121313798) has the molecular formula C17H20F3N3 and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name4-methyl-6-propan-2-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine
PubChem CID121313798
Molecular FormulaC17H20F3N3
Molecular Weight323.36 g/mol
Exact Mass323.16
IUPAC Name4-methyl-6-propan-2-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine
SMILESCc1cc(C(C)C)nnc1N[C@@H](C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H20F3N3/c1-10(2)15-9-11(3)16(23-22-15)21-12(4)13-5-7-14(8-6-13)17(18,19)20/h5-10,12H,1-4H3,(H,21,23)/t12-/m0/s1
InChIKeyIBZCZDHFQJVYBY-LBPRGKRZSA-N
XLogP5.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.36
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107070
5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43729368
5-chloro-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43099949
N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43202288
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile
CID 42893054
4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43104527
1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 134587658
6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile
CID 133418400
1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 43524031
3-methyl-5-nitro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]imidazol-4-amine
CID 34059052
2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43103125
N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328268

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine?
The IUPAC name of 4-methyl-6-propan-2-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine (CID 121313798) is 4-methyl-6-propan-2-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine.
What is the SMILES notation for 4-methyl-6-propan-2-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine?
The canonical SMILES for 4-methyl-6-propan-2-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine is Cc1cc(C(C)C)nnc1N[C@@H](C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-6-propan-2-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine?
The InChIKey is IBZCZDHFQJVYBY-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20F3N3/c1-10(2)15-9-11(3)16(23-22-15)21-12(4)13-5-7-14(8-6-13)17(18,19)20/h5-10,12H,1-4H3,(H,21,23)/t12-/m0/s1.
What are the key properties of 4-methyl-6-propan-2-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine?
4-methyl-6-propan-2-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine has a molecular weight of 323.36 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine is sourced from PubChem (CID 121313798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).