N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine

C9H13F3N4 — CID 83865967

IUPACN-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine
SMILESCNCC1CCCn2nc(C(F)(F)F)nc21
InChIInChI=1S/C9H13F3N4/c1-13-5-6-3-2-4-16-7(6)14-8(15-16)9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyPEHKJBVJGGNTCE-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.39
Rot. Bonds2

About N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine

N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine (PubChem CID 83865967) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine
PubChem CID83865967
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC NameN-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine
SMILESCNCC1CCCn2nc(C(F)(F)F)nc21
InChIInChI=1S/C9H13F3N4/c1-13-5-6-3-2-4-16-7(6)14-8(15-16)9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyPEHKJBVJGGNTCE-UHFFFAOYSA-N
XLogP1.39
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine (CID 83865967) is N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine is CNCC1CCCn2nc(C(F)(F)F)nc21.
What is the InChIKey of N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine?
The InChIKey is PEHKJBVJGGNTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-13-5-6-3-2-4-16-7(6)14-8(15-16)9(10,11)12/h6,13H,2-5H2,1H3.
What are the key properties of N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine?
N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine has a molecular weight of 234.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine is sourced from PubChem (CID 83865967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).