N-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C11H17F3N4 — CID 55059729

IUPACN-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCC(C)NCc1ccc(N(C)CC(F)(F)F)nn1
InChIInChI=1S/C11H17F3N4/c1-8(2)15-6-9-4-5-10(17-16-9)18(3)7-11(12,13)14/h4-5,8,15H,6-7H2,1-3H3
InChIKeyBVRFVNPUTQGSEH-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.97
Rot. Bonds5

About N-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

N-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 55059729) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID55059729
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC NameN-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCC(C)NCc1ccc(N(C)CC(F)(F)F)nn1
InChIInChI=1S/C11H17F3N4/c1-8(2)15-6-9-4-5-10(17-16-9)18(3)7-11(12,13)14/h4-5,8,15H,6-7H2,1-3H3
InChIKeyBVRFVNPUTQGSEH-UHFFFAOYSA-N
XLogP1.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of N-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 55059729) is N-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for N-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is CC(C)NCc1ccc(N(C)CC(F)(F)F)nn1.
What is the InChIKey of N-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is BVRFVNPUTQGSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-8(2)15-6-9-4-5-10(17-16-9)18(3)7-11(12,13)14/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of N-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
N-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 262.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 55059729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).