6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine

C13H13F3N4 — CID 11778514

IUPAC6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine
SMILESNc1ccc(NCc2ccc(C(F)(F)F)cc2)nc1N
InChIInChI=1S/C13H13F3N4/c14-13(15,16)9-3-1-8(2-4-9)7-19-11-6-5-10(17)12(18)20-11/h1-6H,7,17H2,(H3,18,19,20)
InChIKeyGPJVBBSYOYOUOA-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.88
Rot. Bonds3

About 6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine

6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine (PubChem CID 11778514) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine
PubChem CID11778514
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine
SMILESNc1ccc(NCc2ccc(C(F)(F)F)cc2)nc1N
InChIInChI=1S/C13H13F3N4/c14-13(15,16)9-3-1-8(2-4-9)7-19-11-6-5-10(17)12(18)20-11/h1-6H,7,17H2,(H3,18,19,20)
InChIKeyGPJVBBSYOYOUOA-UHFFFAOYSA-N
XLogP2.88
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine
CID 79823347
phenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate
CID 110186262
2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine
CID 80652487
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
CID 60726264
6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine
CID 79827377
2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436967
6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79826024
6-N-ethylpyridine-2,3,6-triamine
CID 79822372
2-[[(5,6-diamino-2-pyridinyl)amino]methyl]phenol
CID 10036825
4-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine
CID 103361077
6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717360
N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 29047903

Frequently Asked Questions

What is the IUPAC name of 6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine?
The IUPAC name of 6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine (CID 11778514) is 6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine is Nc1ccc(NCc2ccc(C(F)(F)F)cc2)nc1N.
What is the InChIKey of 6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine?
The InChIKey is GPJVBBSYOYOUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c14-13(15,16)9-3-1-8(2-4-9)7-19-11-6-5-10(17)12(18)20-11/h1-6H,7,17H2,(H3,18,19,20).
What are the key properties of 6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine?
6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine has a molecular weight of 282.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 11778514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).