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

C12H19N3O — CID 117151154

IUPAC7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCn2c(nnc2C2CCOCC2)C1
InChIInChI=1S/C12H19N3O/c1-9-2-5-15-11(8-9)13-14-12(15)10-3-6-16-7-4-10/h9-10H,2-8H2,1H3
InChIKeyLXDNXJVSWOAOLK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.75
Rot. Bonds1

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

7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117151154) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117151154
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCn2c(nnc2C2CCOCC2)C1
InChIInChI=1S/C12H19N3O/c1-9-2-5-15-11(8-9)13-14-12(15)10-3-6-16-7-4-10/h9-10H,2-8H2,1H3
InChIKeyLXDNXJVSWOAOLK-UHFFFAOYSA-N
XLogP1.75
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 117151154) is 7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC1CCn2c(nnc2C2CCOCC2)C1.
What is the InChIKey of 7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LXDNXJVSWOAOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-2-5-15-11(8-9)13-14-12(15)10-3-6-16-7-4-10/h9-10H,2-8H2,1H3.
What are the key properties of 7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 221.30 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117151154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).