5-N-cyclohexyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine

C17H20N6 — CID 86235182

IUPAC5-N-cyclohexyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
SMILESNc1nc2cc(-c3cccnc3)cc(NC3CCCCC3)n2n1
InChIInChI=1S/C17H20N6/c18-17-21-16-10-13(12-5-4-8-19-11-12)9-15(23(16)22-17)20-14-6-2-1-3-7-14/h4-5,8-11,14,20H,1-3,6-7H2,(H2,18,22)
InChIKeyBBJGGMXXCQMTEL-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.12
Rot. Bonds3

About 5-N-cyclohexyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine

5-N-cyclohexyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine (PubChem CID 86235182) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-N-cyclohexyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-cyclohexyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
PubChem CID86235182
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name5-N-cyclohexyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
SMILESNc1nc2cc(-c3cccnc3)cc(NC3CCCCC3)n2n1
InChIInChI=1S/C17H20N6/c18-17-21-16-10-13(12-5-4-8-19-11-12)9-15(23(16)22-17)20-14-6-2-1-3-7-14/h4-5,8-11,14,20H,1-3,6-7H2,(H2,18,22)
InChIKeyBBJGGMXXCQMTEL-UHFFFAOYSA-N
XLogP3.12
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclohexyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
The IUPAC name of 5-N-cyclohexyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine (CID 86235182) is 5-N-cyclohexyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-cyclohexyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
The canonical SMILES for 5-N-cyclohexyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine is Nc1nc2cc(-c3cccnc3)cc(NC3CCCCC3)n2n1.
What is the InChIKey of 5-N-cyclohexyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
The InChIKey is BBJGGMXXCQMTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c18-17-21-16-10-13(12-5-4-8-19-11-12)9-15(23(16)22-17)20-14-6-2-1-3-7-14/h4-5,8-11,14,20H,1-3,6-7H2,(H2,18,22).
What are the key properties of 5-N-cyclohexyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
5-N-cyclohexyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine has a molecular weight of 308.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclohexyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine is sourced from PubChem (CID 86235182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).