3,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid

C8H13F3N4O2 — CID 67427616

IUPAC3,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid
SMILESNC1=NC2CCCCN2N1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N4.C2HF3O2/c7-6-8-5-3-1-2-4-10(5)9-6;3-2(4,5)1(6)7/h5H,1-4H2,(H3,7,8,9);(H,6,7)
InChIKeyFYDVCKSTWRBHNP-UHFFFAOYSA-N
MW254.21 g/mol
LogP0.26
Rot. Bonds

About 3,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid

3,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 67427616) has the molecular formula C8H13F3N4O2 and a molecular weight of 254.21 g/mol. Its IUPAC name is 3,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID67427616
Molecular FormulaC8H13F3N4O2
Molecular Weight254.21 g/mol
Exact Mass254.10
IUPAC Name3,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid
SMILESNC1=NC2CCCCN2N1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N4.C2HF3O2/c7-6-8-5-3-1-2-4-10(5)9-6;3-2(4,5)1(6)7/h5H,1-4H2,(H3,7,8,9);(H,6,7)
InChIKeyFYDVCKSTWRBHNP-UHFFFAOYSA-N
XLogP0.26
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid (CID 67427616) is 3,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid is NC1=NC2CCCCN2N1.O=C(O)C(F)(F)F.
What is the InChIKey of 3,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is FYDVCKSTWRBHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.C2HF3O2/c7-6-8-5-3-1-2-4-10(5)9-6;3-2(4,5)1(6)7/h5H,1-4H2,(H3,7,8,9);(H,6,7).
What are the key properties of 3,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid?
3,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 254.21 g/mol, XLogP of 0.26, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67427616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).