N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine

C11H15F3N4 — CID 114759127

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESNCCC1(CNc2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)8-1-2-9(18-17-8)16-7-10(3-4-10)5-6-15/h1-2H,3-7,15H2,(H,16,18)
InChIKeyKYVWMKRFAQFYOZ-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.04
Rot. Bonds5

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 114759127) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID114759127
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESNCCC1(CNc2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)8-1-2-9(18-17-8)16-7-10(3-4-10)5-6-15/h1-2H,3-7,15H2,(H,16,18)
InChIKeyKYVWMKRFAQFYOZ-UHFFFAOYSA-N
XLogP2.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103880351
2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine
CID 106142025
6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide
CID 114759134
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133491918
6-[(1-propylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 113256808
2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol
CID 103880439
4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol
CID 106842692
N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 103525202
2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenol
CID 115875586
N'-(6-tert-butylpyridazin-3-yl)ethane-1,2-diamine
CID 84665671
N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine
CID 115978081
N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 138043417

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 114759127) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine is NCCC1(CNc2ccc(C(F)(F)F)nn2)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is KYVWMKRFAQFYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c12-11(13,14)8-1-2-9(18-17-8)16-7-10(3-4-10)5-6-15/h1-2H,3-7,15H2,(H,16,18).
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 260.26 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 114759127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).