7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

C13H12F3N5 — CID 126679214

IUPAC7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cccc(C(F)(F)F)c2)c2c(n1)NNN2
InChIInChI=1S/C13H12F3N5/c14-13(15,16)9-3-1-2-7(5-9)4-8-6-10(17)18-12-11(8)19-21-20-12/h1-3,5-6,19,21H,4H2,(H3,17,18,20)
InChIKeyMVHVKQSKSOHUIS-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.53
Rot. Bonds2

About 7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126679214) has the molecular formula C13H12F3N5 and a molecular weight of 295.27 g/mol. Its IUPAC name is 7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126679214
Molecular FormulaC13H12F3N5
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC Name7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cccc(C(F)(F)F)c2)c2c(n1)NNN2
InChIInChI=1S/C13H12F3N5/c14-13(15,16)9-3-1-2-7(5-9)4-8-6-10(17)18-12-11(8)19-21-20-12/h1-3,5-6,19,21H,4H2,(H3,17,18,20)
InChIKeyMVHVKQSKSOHUIS-UHFFFAOYSA-N
XLogP2.53
TPSA75.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

US10214527, Example 26
CID 135341285
US10214527, Example 9
CID 126680077
US10214527, Example 50
CID 139268888
3-[[4-(Trifluoromethyl)phenyl]diazenyl]pyridine-2,6-diamine
CID 178307502
[6-Phenyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 21818176
[6-[(4-Fluorophenyl)methyl]-2-pyridinyl]hydrazine
CID 53917375
4-[(4-Fluorophenyl)methyl]pyridine-2,3,6-triamine
CID 66589250
4-[2-(4-Fluorophenyl)ethyl]pyridine-2,3,6-triamine
CID 67457883
4-Phenyl-6-(trifluoromethyl)pyridine-2,3-diamine
CID 70980005
7-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126677809
7-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126677860
7-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126677861

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (CID 126679214) is 7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2cccc(C(F)(F)F)c2)c2c(n1)NNN2.
What is the InChIKey of 7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is MVHVKQSKSOHUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5/c14-13(15,16)9-3-1-2-7(5-9)4-8-6-10(17)18-12-11(8)19-21-20-12/h1-3,5-6,19,21H,4H2,(H3,17,18,20).
What are the key properties of 7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 295.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126679214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).