N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine

C10H10F3N3 — CID 115978081

IUPACN-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC#CCCNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H10F3N3/c1-2-3-4-7-14-9-6-5-8(15-16-9)10(11,12)13/h5-6H,4,7H2,1H3,(H,14,16)
InChIKeyIQEFDEDMPURFFQ-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.32
Rot. Bonds3

About N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine

N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 115978081) has the molecular formula C10H10F3N3 and a molecular weight of 229.20 g/mol. Its IUPAC name is N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID115978081
Molecular FormulaC10H10F3N3
Molecular Weight229.20 g/mol
Exact Mass229.08
IUPAC NameN-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC#CCCNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H10F3N3/c1-2-3-4-7-14-9-6-5-8(15-16-9)10(11,12)13/h5-6H,4,7H2,1H3,(H,14,16)
InChIKeyIQEFDEDMPURFFQ-UHFFFAOYSA-N
XLogP2.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol
CID 106842692
N-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 113344350
N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 103525202
5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol
CID 107269138
6-fluoro-N-pent-3-ynylpyridin-2-amine
CID 106196296
N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 138043417
N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103952486
2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine
CID 106142025
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 104973215
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103880029
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103880354
4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122157256

Frequently Asked Questions

What is the IUPAC name of N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine (CID 115978081) is N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine is CC#CCCNc1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is IQEFDEDMPURFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c1-2-3-4-7-14-9-6-5-8(15-16-9)10(11,12)13/h5-6H,4,7H2,1H3,(H,14,16).
What are the key properties of N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine?
N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 229.20 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 115978081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).