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

C16H18N6 — CID 68705137

IUPAC5-(4-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2cccc(-c3ccc(N4CCNCC4)cc3)n2n1
InChIInChI=1S/C16H18N6/c17-16-19-15-3-1-2-14(22(15)20-16)12-4-6-13(7-5-12)21-10-8-18-9-11-21/h1-7,18H,8-11H2,(H2,17,20)
InChIKeyBEZNCEKFYVGWIH-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.39
Rot. Bonds2

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

5-(4-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 68705137) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-(4-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID68705137
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name5-(4-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2cccc(-c3ccc(N4CCNCC4)cc3)n2n1
InChIInChI=1S/C16H18N6/c17-16-19-15-3-1-2-14(22(15)20-16)12-4-6-13(7-5-12)21-10-8-18-9-11-21/h1-7,18H,8-11H2,(H2,17,20)
InChIKeyBEZNCEKFYVGWIH-UHFFFAOYSA-N
XLogP1.39
TPSA71.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(4-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 68705137) is 5-(4-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(4-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(4-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1nc2cccc(-c3ccc(N4CCNCC4)cc3)n2n1.
What is the InChIKey of 5-(4-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is BEZNCEKFYVGWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c17-16-19-15-3-1-2-14(22(15)20-16)12-4-6-13(7-5-12)21-10-8-18-9-11-21/h1-7,18H,8-11H2,(H2,17,20).
What are the key properties of 5-(4-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(4-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 294.36 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 68705137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).