N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H13ClF3N3 — CID 104513663

IUPACN-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1ccc(Cl)nn1)CC(F)(F)F
InChIInChI=1S/C10H13ClF3N3/c1-2-5-17(7-10(12,13)14)6-8-3-4-9(11)16-15-8/h3-4H,2,5-7H2,1H3
InChIKeyHSIZLSGOABDLKN-UHFFFAOYSA-N
MW267.68 g/mol
LogP2.90
Rot. Bonds5

About N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 104513663) has the molecular formula C10H13ClF3N3 and a molecular weight of 267.68 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID104513663
Molecular FormulaC10H13ClF3N3
Molecular Weight267.68 g/mol
Exact Mass267.08
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1ccc(Cl)nn1)CC(F)(F)F
InChIInChI=1S/C10H13ClF3N3/c1-2-5-17(7-10(12,13)14)6-8-3-4-9(11)16-15-8/h3-4H,2,5-7H2,1H3
InChIKeyHSIZLSGOABDLKN-UHFFFAOYSA-N
XLogP2.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 104513663) is N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(Cc1ccc(Cl)nn1)CC(F)(F)F.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is HSIZLSGOABDLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3/c1-2-5-17(7-10(12,13)14)6-8-3-4-9(11)16-15-8/h3-4H,2,5-7H2,1H3.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 267.68 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 104513663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).