1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine

C12H20N4 — CID 83866094

IUPAC1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine
SMILESCC(N)C1CCCc2nc(C3CCC3)nn21
InChIInChI=1S/C12H20N4/c1-8(13)10-6-3-7-11-14-12(15-16(10)11)9-4-2-5-9/h8-10H,2-7,13H2,1H3
InChIKeyRZWTWDKISDYKPN-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.77
Rot. Bonds2

About 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine

1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine (PubChem CID 83866094) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine
PubChem CID83866094
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine
SMILESCC(N)C1CCCc2nc(C3CCC3)nn21
InChIInChI=1S/C12H20N4/c1-8(13)10-6-3-7-11-14-12(15-16(10)11)9-4-2-5-9/h8-10H,2-7,13H2,1H3
InChIKeyRZWTWDKISDYKPN-UHFFFAOYSA-N
XLogP1.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine?
The IUPAC name of 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine (CID 83866094) is 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine.
What is the SMILES notation for 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine?
The canonical SMILES for 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine is CC(N)C1CCCc2nc(C3CCC3)nn21.
What is the InChIKey of 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine?
The InChIKey is RZWTWDKISDYKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8(13)10-6-3-7-11-14-12(15-16(10)11)9-4-2-5-9/h8-10H,2-7,13H2,1H3.
What are the key properties of 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine?
1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine is sourced from PubChem (CID 83866094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).