N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C12H15F3N6 — CID 106950612

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESNCC1(Nc2ccc3nnc(C(F)(F)F)n3n2)CCCC1
InChIInChI=1S/C12H15F3N6/c13-12(14,15)10-19-18-9-4-3-8(20-21(9)10)17-11(7-16)5-1-2-6-11/h3-4H,1-2,5-7,16H2,(H,17,20)
InChIKeySDFWNWKUNUADLS-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.83
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 106950612) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID106950612
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESNCC1(Nc2ccc3nnc(C(F)(F)F)n3n2)CCCC1
InChIInChI=1S/C12H15F3N6/c13-12(14,15)10-19-18-9-4-3-8(20-21(9)10)17-11(7-16)5-1-2-6-11/h3-4H,1-2,5-7,16H2,(H,17,20)
InChIKeySDFWNWKUNUADLS-UHFFFAOYSA-N
XLogP1.83
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 106950612) is N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is NCC1(Nc2ccc3nnc(C(F)(F)F)n3n2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is SDFWNWKUNUADLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6/c13-12(14,15)10-19-18-9-4-3-8(20-21(9)10)17-11(7-16)5-1-2-6-11/h3-4H,1-2,5-7,16H2,(H,17,20).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 300.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 106950612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).