2-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C9H13F3N4O — CID 83965554

IUPAC2-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCOCc1nc2n(n1)CC(C(F)(F)F)CC2N
InChIInChI=1S/C9H13F3N4O/c1-17-4-7-14-8-6(13)2-5(9(10,11)12)3-16(8)15-7/h5-6H,2-4,13H2,1H3
InChIKeyDAXJDHKGUBDEDO-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.01
Rot. Bonds2

About 2-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

2-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 83965554) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID83965554
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name2-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCOCc1nc2n(n1)CC(C(F)(F)F)CC2N
InChIInChI=1S/C9H13F3N4O/c1-17-4-7-14-8-6(13)2-5(9(10,11)12)3-16(8)15-7/h5-6H,2-4,13H2,1H3
InChIKeyDAXJDHKGUBDEDO-UHFFFAOYSA-N
XLogP1.01
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine with MolForge

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Related Compounds

2-(methoxymethyl)-5H,6H,7H,8H-(1,2,4)triazolo(1,5-a)pyridin-6-amine
CID 71755965
2-(methoxymethyl)-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 71756040
Cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol
CID 69363535
5-Methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 118136394
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53587747
N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53587805
2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53623305
4-Methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]butan-1-amine
CID 81250198
1-[6-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
CID 81250271
2-Methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine
CID 81250634
3-[6-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine
CID 81250906
2-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethanamine
CID 81250980

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 83965554) is 2-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 2-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is COCc1nc2n(n1)CC(C(F)(F)F)CC2N.
What is the InChIKey of 2-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is DAXJDHKGUBDEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-17-4-7-14-8-6(13)2-5(9(10,11)12)3-16(8)15-7/h5-6H,2-4,13H2,1H3.
What are the key properties of 2-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 250.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 83965554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).