5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H16N4O — CID 68587259

IUPAC5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2cccc(CC3CCOCC3)n2n1
InChIInChI=1S/C12H16N4O/c13-12-14-11-3-1-2-10(16(11)15-12)8-9-4-6-17-7-5-9/h1-3,9H,4-8H2,(H2,13,15)
InChIKeyDLYOEVJPTVSGRW-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.28
Rot. Bonds2

About 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 68587259) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID68587259
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2cccc(CC3CCOCC3)n2n1
InChIInChI=1S/C12H16N4O/c13-12-14-11-3-1-2-10(16(11)15-12)8-9-4-6-17-7-5-9/h1-3,9H,4-8H2,(H2,13,15)
InChIKeyDLYOEVJPTVSGRW-UHFFFAOYSA-N
XLogP1.28
TPSA65.44 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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
CID 121282067
3,3-dimethyl-6-[[5-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
CID 59276258
6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
CID 67528754
5-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 90754073
7-[4-(oxan-4-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 23111606
8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136192
5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 83705758
5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid
CID 159857656
7-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 167656042
2-ethyl-9-(oxan-4-ylmethyl)pyrazolo[3,4-c]quinolin-4-amine
CID 69349118
6-(oxan-4-ylmethoxy)pyridin-2-amine
CID 80651934
2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129197

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 68587259) is 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1nc2cccc(CC3CCOCC3)n2n1.
What is the InChIKey of 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is DLYOEVJPTVSGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-12-14-11-3-1-2-10(16(11)15-12)8-9-4-6-17-7-5-9/h1-3,9H,4-8H2,(H2,13,15).
What are the key properties of 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 232.29 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 68587259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).