4-(aminomethyl)-5,6-diethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C14H23F3N4 — CID 80508176

IUPAC4-(aminomethyl)-5,6-diethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCCc1nnc(N(CC(F)(F)F)C(C)C)c(CN)c1CC
InChIInChI=1S/C14H23F3N4/c1-5-10-11(7-18)13(20-19-12(10)6-2)21(9(3)4)8-14(15,16)17/h9H,5-8,18H2,1-4H3
InChIKeyLBUXMRKHMUTHMY-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.84
Rot. Bonds6

About 4-(aminomethyl)-5,6-diethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

4-(aminomethyl)-5,6-diethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 80508176) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-(aminomethyl)-5,6-diethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-5,6-diethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID80508176
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC Name4-(aminomethyl)-5,6-diethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCCc1nnc(N(CC(F)(F)F)C(C)C)c(CN)c1CC
InChIInChI=1S/C14H23F3N4/c1-5-10-11(7-18)13(20-19-12(10)6-2)21(9(3)4)8-14(15,16)17/h9H,5-8,18H2,1-4H3
InChIKeyLBUXMRKHMUTHMY-UHFFFAOYSA-N
XLogP2.84
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5,6-diethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-5,6-diethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 80508176) is 4-(aminomethyl)-5,6-diethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-5,6-diethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-5,6-diethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is CCc1nnc(N(CC(F)(F)F)C(C)C)c(CN)c1CC.
What is the InChIKey of 4-(aminomethyl)-5,6-diethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is LBUXMRKHMUTHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-5-10-11(7-18)13(20-19-12(10)6-2)21(9(3)4)8-14(15,16)17/h9H,5-8,18H2,1-4H3.
What are the key properties of 4-(aminomethyl)-5,6-diethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
4-(aminomethyl)-5,6-diethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 304.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5,6-diethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 80508176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).