2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine

C11H12F3N5O — CID 106411584

IUPAC2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(NCc2noc(C)n2)n1
InChIInChI=1S/C11H12F3N5O/c1-6-17-10(19-20-6)5-16-9-4-7(11(12,13)14)3-8(15-2)18-9/h3-4H,5H2,1-2H3,(H2,15,16,18)
InChIKeyPSJWUQVSVDJQSF-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.45
Rot. Bonds4

About 2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine

2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 106411584) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID106411584
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(NCc2noc(C)n2)n1
InChIInChI=1S/C11H12F3N5O/c1-6-17-10(19-20-6)5-16-9-4-7(11(12,13)14)3-8(15-2)18-9/h3-4H,5H2,1-2H3,(H2,15,16,18)
InChIKeyPSJWUQVSVDJQSF-UHFFFAOYSA-N
XLogP2.45
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411587
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106411589
6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106421504
6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718632
2,3,5,6-tetrafluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 107912090
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine
CID 113243841
6-N-ethyl-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazine-2,6-diamine
CID 113243843
6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 103703166
2-N-ethyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411661
6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102720647
2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718475
2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717377

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (CID 106411584) is 2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is CNc1cc(C(F)(F)F)cc(NCc2noc(C)n2)n1.
What is the InChIKey of 2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is PSJWUQVSVDJQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-6-17-10(19-20-6)5-16-9-4-7(11(12,13)14)3-8(15-2)18-9/h3-4H,5H2,1-2H3,(H2,15,16,18).
What are the key properties of 2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 287.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 106411584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).