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

C11H19N3 — CID 144791366

IUPAC7-[(2S)-butan-2-yl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC[C@H](C)C1CCn2c(C)nnc2C1
InChIInChI=1S/C11H19N3/c1-4-8(2)10-5-6-14-9(3)12-13-11(14)7-10/h8,10H,4-7H2,1-3H3/t8-,10?/m0/s1
InChIKeySWLQBWBIUYMIGA-PEHGTWAWSA-N
MW193.29 g/mol
LogP2.20
Rot. Bonds2

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

7-[(2S)-butan-2-yl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 144791366) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 7-[(2S)-butan-2-yl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-[(2S)-butan-2-yl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID144791366
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name7-[(2S)-butan-2-yl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC[C@H](C)C1CCn2c(C)nnc2C1
InChIInChI=1S/C11H19N3/c1-4-8(2)10-5-6-14-9(3)12-13-11(14)7-10/h8,10H,4-7H2,1-3H3/t8-,10?/m0/s1
InChIKeySWLQBWBIUYMIGA-PEHGTWAWSA-N
XLogP2.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-butan-2-yl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-[(2S)-butan-2-yl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 144791366) is 7-[(2S)-butan-2-yl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-[(2S)-butan-2-yl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-[(2S)-butan-2-yl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC[C@H](C)C1CCn2c(C)nnc2C1.
What is the InChIKey of 7-[(2S)-butan-2-yl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is SWLQBWBIUYMIGA-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-8(2)10-5-6-14-9(3)12-13-11(14)7-10/h8,10H,4-7H2,1-3H3/t8-,10?/m0/s1.
What are the key properties of 7-[(2S)-butan-2-yl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
7-[(2S)-butan-2-yl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 193.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-butan-2-yl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 144791366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).