6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine

C13H19N5 — CID 80867855

IUPAC6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(-n2nc(CC)nc2CC)n1
InChIInChI=1S/C13H19N5/c1-4-10-15-12(5-2)18(17-10)13-9-7-8-11(16-13)14-6-3/h7-9H,4-6H2,1-3H3,(H,14,16)
InChIKeyBWHGKMTUEUOCGK-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.22
Rot. Bonds5

About 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine

6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine (PubChem CID 80867855) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine
PubChem CID80867855
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(-n2nc(CC)nc2CC)n1
InChIInChI=1S/C13H19N5/c1-4-10-15-12(5-2)18(17-10)13-9-7-8-11(16-13)14-6-3/h7-9H,4-6H2,1-3H3,(H,14,16)
InChIKeyBWHGKMTUEUOCGK-UHFFFAOYSA-N
XLogP2.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine?
The IUPAC name of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine (CID 80867855) is 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine?
The canonical SMILES for 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine is CCNc1cccc(-n2nc(CC)nc2CC)n1.
What is the InChIKey of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine?
The InChIKey is BWHGKMTUEUOCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-10-15-12(5-2)18(17-10)13-9-7-8-11(16-13)14-6-3/h7-9H,4-6H2,1-3H3,(H,14,16).
What are the key properties of 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine?
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 80867855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).