(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C9H14FN3 — CID 155157343

IUPAC(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2n1[C@@H](F)CCC2
InChIInChI=1S/C9H14FN3/c1-6(2)9-12-11-8-5-3-4-7(10)13(8)9/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeySYZGWSFEWNNBCX-SSDOTTSWSA-N
MW183.23 g/mol
LogP2.21
Rot. Bonds1

About (5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 155157343) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is (5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID155157343
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2n1[C@@H](F)CCC2
InChIInChI=1S/C9H14FN3/c1-6(2)9-12-11-8-5-3-4-7(10)13(8)9/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeySYZGWSFEWNNBCX-SSDOTTSWSA-N
XLogP2.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of (5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 155157343) is (5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for (5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for (5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1nnc2n1[C@@H](F)CCC2.
What is the InChIKey of (5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is SYZGWSFEWNNBCX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14FN3/c1-6(2)9-12-11-8-5-3-4-7(10)13(8)9/h6-7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of (5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 183.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 155157343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).