N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine

C11H16F3N3O — CID 126818890

IUPACN-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine
SMILESCC(C)OCCCNc1cc(C(F)(F)F)cnn1
InChIInChI=1S/C11H16F3N3O/c1-8(2)18-5-3-4-15-10-6-9(7-16-17-10)11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,17)
InChIKeyFVTMSSMHOAZIQS-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.72
Rot. Bonds6

About N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine

N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine (PubChem CID 126818890) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine
PubChem CID126818890
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine
SMILESCC(C)OCCCNc1cc(C(F)(F)F)cnn1
InChIInChI=1S/C11H16F3N3O/c1-8(2)18-5-3-4-15-10-6-9(7-16-17-10)11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,17)
InChIKeyFVTMSSMHOAZIQS-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine
CID 106012460
N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridin-1-ium-2-amine
CID 7379238
2-chloro-N-(4-propan-2-yloxybutyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 106013798
6-(3-methylbutan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720055
2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine
CID 106014673
4-(3-propan-2-yloxypropylamino)-2-(trifluoromethyl)benzonitrile
CID 133381984
4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine
CID 69247459
N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2988986
5-methyl-N-(3-propoxypropyl)pyridazin-3-amine
CID 106549900
6-(4-methylpentoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719649
N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 47015106
6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
CID 106003848

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine (CID 126818890) is N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine is CC(C)OCCCNc1cc(C(F)(F)F)cnn1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is FVTMSSMHOAZIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-8(2)18-5-3-4-15-10-6-9(7-16-17-10)11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,17).
What are the key properties of N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine?
N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 263.26 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 126818890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).