4,5-dimethyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyridazin-3-amine

C17H22F3N3 — CID 121313743

IUPAC4,5-dimethyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyridazin-3-amine
SMILESCC1=C(NCc2ccc(C(F)(F)F)cc2)NNC(C(C)C)=C1C
InChIInChI=1S/C17H22F3N3/c1-10(2)15-11(3)12(4)16(23-22-15)21-9-13-5-7-14(8-6-13)17(18,19)20/h5-8,10,21-23H,9H2,1-4H3
InChIKeyBZBBOCPIEZOZIK-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.06
Rot. Bonds4

About 4,5-dimethyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyridazin-3-amine

4,5-dimethyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyridazin-3-amine (PubChem CID 121313743) has the molecular formula C17H22F3N3 and a molecular weight of 325.38 g/mol. Its IUPAC name is 4,5-dimethyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyridazin-3-amine.

Molecular Properties

Compound Name4,5-dimethyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyridazin-3-amine
PubChem CID121313743
Molecular FormulaC17H22F3N3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Name4,5-dimethyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyridazin-3-amine
SMILESCC1=C(NCc2ccc(C(F)(F)F)cc2)NNC(C(C)C)=C1C
InChIInChI=1S/C17H22F3N3/c1-10(2)15-11(3)12(4)16(23-22-15)21-9-13-5-7-14(8-6-13)17(18,19)20/h5-8,10,21-23H,9H2,1-4H3
InChIKeyBZBBOCPIEZOZIK-UHFFFAOYSA-N
XLogP4.06
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyridazin-3-amine?
The IUPAC name of 4,5-dimethyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyridazin-3-amine (CID 121313743) is 4,5-dimethyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyridazin-3-amine.
What is the SMILES notation for 4,5-dimethyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyridazin-3-amine?
The canonical SMILES for 4,5-dimethyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyridazin-3-amine is CC1=C(NCc2ccc(C(F)(F)F)cc2)NNC(C(C)C)=C1C.
What is the InChIKey of 4,5-dimethyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyridazin-3-amine?
The InChIKey is BZBBOCPIEZOZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3/c1-10(2)15-11(3)12(4)16(23-22-15)21-9-13-5-7-14(8-6-13)17(18,19)20/h5-8,10,21-23H,9H2,1-4H3.
What are the key properties of 4,5-dimethyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyridazin-3-amine?
4,5-dimethyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyridazin-3-amine has a molecular weight of 325.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyridazin-3-amine is sourced from PubChem (CID 121313743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).