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

C12H15N3O — CID 117138783

IUPAC6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc2nnc(C3CCOCC3)n2c1
InChIInChI=1S/C12H15N3O/c1-9-2-3-11-13-14-12(15(11)8-9)10-4-6-16-7-5-10/h2-3,8,10H,4-7H2,1H3
InChIKeyVFIPNLFKVSXGMW-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.93
Rot. Bonds1

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

6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117138783) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117138783
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc2nnc(C3CCOCC3)n2c1
InChIInChI=1S/C12H15N3O/c1-9-2-3-11-13-14-12(15(11)8-9)10-4-6-16-7-5-10/h2-3,8,10H,4-7H2,1H3
InChIKeyVFIPNLFKVSXGMW-UHFFFAOYSA-N
XLogP1.93
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66570785
6-methyl-3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138815
3-(azetidin-3-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride
CID 165431539
6-methyl-3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138746
6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139128
N-cyclopentyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800675
3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138448
3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62387458
6-methyl-2-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128942
6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117137949
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 63014932
N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134803137

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117138783) is 6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccc2nnc(C3CCOCC3)n2c1.
What is the InChIKey of 6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VFIPNLFKVSXGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-2-3-11-13-14-12(15(11)8-9)10-4-6-16-7-5-10/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 217.27 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117138783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).