6-chloro-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H17ClN4O — CID 83028489

IUPAC6-chloro-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC1(C)CC(Nc2nc3ccc(Cl)cn3n2)CCO1
InChIInChI=1S/C13H17ClN4O/c1-13(2)7-10(5-6-19-13)15-12-16-11-4-3-9(14)8-18(11)17-12/h3-4,8,10H,5-7H2,1-2H3,(H,15,17)
InChIKeyDRNFMMWSSCCUBS-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.75
Rot. Bonds2

About 6-chloro-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-chloro-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 83028489) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 6-chloro-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID83028489
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name6-chloro-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC1(C)CC(Nc2nc3ccc(Cl)cn3n2)CCO1
InChIInChI=1S/C13H17ClN4O/c1-13(2)7-10(5-6-19-13)15-12-16-11-4-3-9(14)8-18(11)17-12/h3-4,8,10H,5-7H2,1-2H3,(H,15,17)
InChIKeyDRNFMMWSSCCUBS-UHFFFAOYSA-N
XLogP2.75
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-chloro-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 83028489) is 6-chloro-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC1(C)CC(Nc2nc3ccc(Cl)cn3n2)CCO1.
What is the InChIKey of 6-chloro-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is DRNFMMWSSCCUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-13(2)7-10(5-6-19-13)15-12-16-11-4-3-9(14)8-18(11)17-12/h3-4,8,10H,5-7H2,1-2H3,(H,15,17).
What are the key properties of 6-chloro-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-chloro-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 280.76 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 83028489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).