1,1,1-trifluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-amine

C9H13F3N4 — CID 81057793

IUPAC1,1,1-trifluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-amine
SMILESCC(N)(c1nnc2n1CCCC2)C(F)(F)F
InChIInChI=1S/C9H13F3N4/c1-8(13,9(10,11)12)7-15-14-6-4-2-3-5-16(6)7/h2-5,13H2,1H3
InChIKeyNDIHBHCGYYYOMT-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.35
Rot. Bonds1

About 1,1,1-trifluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-amine

1,1,1-trifluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-amine (PubChem CID 81057793) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-amine
PubChem CID81057793
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name1,1,1-trifluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-amine
SMILESCC(N)(c1nnc2n1CCCC2)C(F)(F)F
InChIInChI=1S/C9H13F3N4/c1-8(13,9(10,11)12)7-15-14-6-4-2-3-5-16(6)7/h2-5,13H2,1H3
InChIKeyNDIHBHCGYYYOMT-UHFFFAOYSA-N
XLogP1.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 64669078
3-(2-methylbutan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 166647940
2-ethyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butan-1-amine
CID 113308654
ethane;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 143209062
3-(2,2-dimethylpropyl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 146137274
2-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797537
3-[(2R)-2-(4-chlorophenyl)butan-2-yl]-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 142840407
2-methyl-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-amine
CID 120856077
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
CID 81057696
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,2-dimethylpropan-1-amine
CID 43470330
5-tert-butyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 133382927
3-[2-(4-chlorophenyl)propan-2-yl]-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine;methoxymethoxyethane
CID 142840511

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-amine (CID 81057793) is 1,1,1-trifluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-amine is CC(N)(c1nnc2n1CCCC2)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-amine?
The InChIKey is NDIHBHCGYYYOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-8(13,9(10,11)12)7-15-14-6-4-2-3-5-16(6)7/h2-5,13H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-amine?
1,1,1-trifluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-amine has a molecular weight of 234.22 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-amine is sourced from PubChem (CID 81057793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).