N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide

C12H15F3N4O — CID 129353239

IUPACN-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)C1CC1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)8-3-4-9-17-18-10(19(9)6-8)5-16-11(20)7-1-2-7/h7-8H,1-6H2,(H,16,20)/t8-/m0/s1
InChIKeyQANCTYPBYSIXOJ-QMMMGPOBSA-N
MW288.27 g/mol
LogP1.43
Rot. Bonds3

About N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide

N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 129353239) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide
PubChem CID129353239
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC NameN-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)C1CC1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)8-3-4-9-17-18-10(19(9)6-8)5-16-11(20)7-1-2-7/h7-8H,1-6H2,(H,16,20)/t8-/m0/s1
InChIKeyQANCTYPBYSIXOJ-QMMMGPOBSA-N
XLogP1.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide (CID 129353239) is N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide is O=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)C1CC1.
What is the InChIKey of N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is QANCTYPBYSIXOJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)8-3-4-9-17-18-10(19(9)6-8)5-16-11(20)7-1-2-7/h7-8H,1-6H2,(H,16,20)/t8-/m0/s1.
What are the key properties of N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide?
N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 129353239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).