1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine

C12H18N4 — CID 83866552

IUPAC1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine
SMILESCC(N)c1cccn2c(C(C)(C)C)nnc12
InChIInChI=1S/C12H18N4/c1-8(13)9-6-5-7-16-10(9)14-15-11(16)12(2,3)4/h5-8H,13H2,1-4H3
InChIKeyHQNUKAWSWIBVPP-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.05
Rot. Bonds1

About 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine

1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine (PubChem CID 83866552) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine
PubChem CID83866552
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine
SMILESCC(N)c1cccn2c(C(C)(C)C)nnc12
InChIInChI=1S/C12H18N4/c1-8(13)9-6-5-7-16-10(9)14-15-11(16)12(2,3)4/h5-8H,13H2,1-4H3
InChIKeyHQNUKAWSWIBVPP-UHFFFAOYSA-N
XLogP2.05
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine?
The IUPAC name of 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine (CID 83866552) is 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine.
What is the SMILES notation for 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine?
The canonical SMILES for 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine is CC(N)c1cccn2c(C(C)(C)C)nnc12.
What is the InChIKey of 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine?
The InChIKey is HQNUKAWSWIBVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8(13)9-6-5-7-16-10(9)14-15-11(16)12(2,3)4/h5-8H,13H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine?
1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine has a molecular weight of 218.30 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine is sourced from PubChem (CID 83866552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).