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

C9H16N4 — CID 83866321

IUPAC2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
SMILESCC1CCc2nc(CCN)nn2C1
InChIInChI=1S/C9H16N4/c1-7-2-3-9-11-8(4-5-10)12-13(9)6-7/h7H,2-6,10H2,1H3
InChIKeyZIBFMFGFIRIBLE-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.36
Rot. Bonds2

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

2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine (PubChem CID 83866321) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
PubChem CID83866321
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
SMILESCC1CCc2nc(CCN)nn2C1
InChIInChI=1S/C9H16N4/c1-7-2-3-9-11-8(4-5-10)12-13(9)6-7/h7H,2-6,10H2,1H3
InChIKeyZIBFMFGFIRIBLE-UHFFFAOYSA-N
XLogP0.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine?
The IUPAC name of 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine (CID 83866321) is 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine.
What is the SMILES notation for 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine?
The canonical SMILES for 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine is CC1CCc2nc(CCN)nn2C1.
What is the InChIKey of 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine?
The InChIKey is ZIBFMFGFIRIBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-2-3-9-11-8(4-5-10)12-13(9)6-7/h7H,2-6,10H2,1H3.
What are the key properties of 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine?
2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine has a molecular weight of 180.25 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine is sourced from PubChem (CID 83866321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).