6-[5-(2,2-dimethylpropoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C16H19N5O — CID 58117158

IUPAC6-[5-(2,2-dimethylpropoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC(C)(C)COc1cncc(-c2ccc3nc(N)nn3c2)c1
InChIInChI=1S/C16H19N5O/c1-16(2,3)10-22-13-6-12(7-18-8-13)11-4-5-14-19-15(17)20-21(14)9-11/h4-9H,10H2,1-3H3,(H2,17,20)
InChIKeyWNQHCSHBJQTICK-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.80
Rot. Bonds3

About 6-[5-(2,2-dimethylpropoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-[5-(2,2-dimethylpropoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 58117158) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-[5-(2,2-dimethylpropoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-[5-(2,2-dimethylpropoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID58117158
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name6-[5-(2,2-dimethylpropoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC(C)(C)COc1cncc(-c2ccc3nc(N)nn3c2)c1
InChIInChI=1S/C16H19N5O/c1-16(2,3)10-22-13-6-12(7-18-8-13)11-4-5-14-19-15(17)20-21(14)9-11/h4-9H,10H2,1-3H3,(H2,17,20)
InChIKeyWNQHCSHBJQTICK-UHFFFAOYSA-N
XLogP2.80
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2,2-dimethylpropoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-[5-(2,2-dimethylpropoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 58117158) is 6-[5-(2,2-dimethylpropoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-[5-(2,2-dimethylpropoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-[5-(2,2-dimethylpropoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC(C)(C)COc1cncc(-c2ccc3nc(N)nn3c2)c1.
What is the InChIKey of 6-[5-(2,2-dimethylpropoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is WNQHCSHBJQTICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-16(2,3)10-22-13-6-12(7-18-8-13)11-4-5-14-19-15(17)20-21(14)9-11/h4-9H,10H2,1-3H3,(H2,17,20).
What are the key properties of 6-[5-(2,2-dimethylpropoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-[5-(2,2-dimethylpropoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 297.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2,2-dimethylpropoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 58117158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).