7-methyl-N-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C12H16N4O — CID 63363423

IUPAC7-methyl-N-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NC2CCCOC2)n2ncnc2c1
InChIInChI=1S/C12H16N4O/c1-9-5-11-13-8-14-16(11)12(6-9)15-10-3-2-4-17-7-10/h5-6,8,10,15H,2-4,7H2,1H3
InChIKeyXTIVNUHNXKKBRV-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.63
Rot. Bonds2

About 7-methyl-N-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

7-methyl-N-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 63363423) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 7-methyl-N-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name7-methyl-N-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID63363423
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name7-methyl-N-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NC2CCCOC2)n2ncnc2c1
InChIInChI=1S/C12H16N4O/c1-9-5-11-13-8-14-16(11)12(6-9)15-10-3-2-4-17-7-10/h5-6,8,10,15H,2-4,7H2,1H3
InChIKeyXTIVNUHNXKKBRV-UHFFFAOYSA-N
XLogP1.63
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 7-methyl-N-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 63363423) is 7-methyl-N-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 7-methyl-N-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 7-methyl-N-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Cc1cc(NC2CCCOC2)n2ncnc2c1.
What is the InChIKey of 7-methyl-N-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is XTIVNUHNXKKBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-5-11-13-8-14-16(11)12(6-9)15-10-3-2-4-17-7-10/h5-6,8,10,15H,2-4,7H2,1H3.
What are the key properties of 7-methyl-N-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
7-methyl-N-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 232.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 63363423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).