5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C16H17N5S — CID 175818146

IUPAC5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2cccc(-c3ccc(N4CCSCC4)cc3)n2n1
InChIInChI=1S/C16H17N5S/c17-16-18-15-3-1-2-14(21(15)19-16)12-4-6-13(7-5-12)20-8-10-22-11-9-20/h1-7H,8-11H2,(H2,17,19)
InChIKeyBBCMXMQEWRVBCV-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.53
Rot. Bonds2

About 5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 175818146) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID175818146
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2cccc(-c3ccc(N4CCSCC4)cc3)n2n1
InChIInChI=1S/C16H17N5S/c17-16-18-15-3-1-2-14(21(15)19-16)12-4-6-13(7-5-12)20-8-10-22-11-9-20/h1-7H,8-11H2,(H2,17,19)
InChIKeyBBCMXMQEWRVBCV-UHFFFAOYSA-N
XLogP2.53
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 175818146) is 5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1nc2cccc(-c3ccc(N4CCSCC4)cc3)n2n1.
What is the InChIKey of 5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is BBCMXMQEWRVBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c17-16-18-15-3-1-2-14(21(15)19-16)12-4-6-13(7-5-12)20-8-10-22-11-9-20/h1-7H,8-11H2,(H2,17,19).
What are the key properties of 5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 311.41 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 175818146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).