4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine

C9H13F3N4 — CID 80509001

IUPAC4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
SMILESCN(CCC(F)(F)F)c1nnccc1CN
InChIInChI=1S/C9H13F3N4/c1-16(5-3-9(10,11)12)8-7(6-13)2-4-14-15-8/h2,4H,3,5-6,13H2,1H3
InChIKeyMIAWFLGUWXGHPD-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.32
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine

4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine (PubChem CID 80509001) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
PubChem CID80509001
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
SMILESCN(CCC(F)(F)F)c1nnccc1CN
InChIInChI=1S/C9H13F3N4/c1-16(5-3-9(10,11)12)8-7(6-13)2-4-14-15-8/h2,4H,3,5-6,13H2,1H3
InChIKeyMIAWFLGUWXGHPD-UHFFFAOYSA-N
XLogP1.32
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine (CID 80509001) is 4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine is CN(CCC(F)(F)F)c1nnccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
The InChIKey is MIAWFLGUWXGHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-16(5-3-9(10,11)12)8-7(6-13)2-4-14-15-8/h2,4H,3,5-6,13H2,1H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine has a molecular weight of 234.22 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine is sourced from PubChem (CID 80509001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).