2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1H-pyridazine-3,6-dione

C8H10F3N3O2 — CID 103366512

IUPAC2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1H-pyridazine-3,6-dione
SMILESNCC(Cn1[nH]c(=O)ccc1=O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)5(3-12)4-14-7(16)2-1-6(15)13-14/h1-2,5H,3-4,12H2,(H,13,15)
InChIKeyQTAPCTHXVLOZMJ-UHFFFAOYSA-N
MW237.18 g/mol
LogP-0.33
Rot. Bonds3

About 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1H-pyridazine-3,6-dione

2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1H-pyridazine-3,6-dione (PubChem CID 103366512) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1H-pyridazine-3,6-dione
PubChem CID103366512
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1H-pyridazine-3,6-dione
SMILESNCC(Cn1[nH]c(=O)ccc1=O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)5(3-12)4-14-7(16)2-1-6(15)13-14/h1-2,5H,3-4,12H2,(H,13,15)
InChIKeyQTAPCTHXVLOZMJ-UHFFFAOYSA-N
XLogP-0.33
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1H-pyridazine-3,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1H-pyridazine-3,6-dione (CID 103366512) is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1H-pyridazine-3,6-dione is NCC(Cn1[nH]c(=O)ccc1=O)C(F)(F)F.
What is the InChIKey of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1H-pyridazine-3,6-dione?
The InChIKey is QTAPCTHXVLOZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)5(3-12)4-14-7(16)2-1-6(15)13-14/h1-2,5H,3-4,12H2,(H,13,15).
What are the key properties of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1H-pyridazine-3,6-dione?
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1H-pyridazine-3,6-dione has a molecular weight of 237.18 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 103366512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).