2-[4-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethanamine

C13H16N8 — CID 56708525

IUPAC2-[4-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethanamine
SMILESCc1cc(-n2nc(C)nc2-c2cn(CCN)nn2)ccn1
InChIInChI=1S/C13H16N8/c1-9-7-11(3-5-15-9)21-13(16-10(2)18-21)12-8-20(6-4-14)19-17-12/h3,5,7-8H,4,6,14H2,1-2H3
InChIKeyGEVMSPUGTYRVMF-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.50
Rot. Bonds4

About 2-[4-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethanamine

2-[4-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethanamine (PubChem CID 56708525) has the molecular formula C13H16N8 and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[4-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethanamine
PubChem CID56708525
Molecular FormulaC13H16N8
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name2-[4-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethanamine
SMILESCc1cc(-n2nc(C)nc2-c2cn(CCN)nn2)ccn1
InChIInChI=1S/C13H16N8/c1-9-7-11(3-5-15-9)21-13(16-10(2)18-21)12-8-20(6-4-14)19-17-12/h3,5,7-8H,4,6,14H2,1-2H3
InChIKeyGEVMSPUGTYRVMF-UHFFFAOYSA-N
XLogP0.50
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethanamine (CID 56708525) is 2-[4-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethanamine is Cc1cc(-n2nc(C)nc2-c2cn(CCN)nn2)ccn1.
What is the InChIKey of 2-[4-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethanamine?
The InChIKey is GEVMSPUGTYRVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8/c1-9-7-11(3-5-15-9)21-13(16-10(2)18-21)12-8-20(6-4-14)19-17-12/h3,5,7-8H,4,6,14H2,1-2H3.
What are the key properties of 2-[4-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethanamine?
2-[4-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethanamine has a molecular weight of 284.33 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethanamine is sourced from PubChem (CID 56708525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).