4-(aminomethyl)-N,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C10H15F3N4 — CID 61097624

IUPAC4-(aminomethyl)-N,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCc1nnc(N(C)CC(F)(F)F)c(CN)c1C
InChIInChI=1S/C10H15F3N4/c1-6-7(2)15-16-9(8(6)4-14)17(3)5-10(11,12)13/h4-5,14H2,1-3H3
InChIKeyLXLIPOSTQGEKSG-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.55
Rot. Bonds3

About 4-(aminomethyl)-N,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

4-(aminomethyl)-N,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 61097624) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-(aminomethyl)-N,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID61097624
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name4-(aminomethyl)-N,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCc1nnc(N(C)CC(F)(F)F)c(CN)c1C
InChIInChI=1S/C10H15F3N4/c1-6-7(2)15-16-9(8(6)4-14)17(3)5-10(11,12)13/h4-5,14H2,1-3H3
InChIKeyLXLIPOSTQGEKSG-UHFFFAOYSA-N
XLogP1.55
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 61097624) is 4-(aminomethyl)-N,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is Cc1nnc(N(C)CC(F)(F)F)c(CN)c1C.
What is the InChIKey of 4-(aminomethyl)-N,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is LXLIPOSTQGEKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-6-7(2)15-16-9(8(6)4-14)17(3)5-10(11,12)13/h4-5,14H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
4-(aminomethyl)-N,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 248.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 61097624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).