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

C8H13ClN4 — CID 112711678

IUPAC1-(8-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
SMILESCC(N)c1nc2n(n1)CCCC2Cl
InChIInChI=1S/C8H13ClN4/c1-5(10)7-11-8-6(9)3-2-4-13(8)12-7/h5-6H,2-4,10H2,1H3
InChIKeyPBBOBSJIZFXYSW-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.37
Rot. Bonds1

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

1-(8-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine (PubChem CID 112711678) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-(8-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(8-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
PubChem CID112711678
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name1-(8-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
SMILESCC(N)c1nc2n(n1)CCCC2Cl
InChIInChI=1S/C8H13ClN4/c1-5(10)7-11-8-6(9)3-2-4-13(8)12-7/h5-6H,2-4,10H2,1H3
InChIKeyPBBOBSJIZFXYSW-UHFFFAOYSA-N
XLogP1.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine?
The IUPAC name of 1-(8-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine (CID 112711678) is 1-(8-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine.
What is the SMILES notation for 1-(8-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine?
The canonical SMILES for 1-(8-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine is CC(N)c1nc2n(n1)CCCC2Cl.
What is the InChIKey of 1-(8-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine?
The InChIKey is PBBOBSJIZFXYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4/c1-5(10)7-11-8-6(9)3-2-4-13(8)12-7/h5-6H,2-4,10H2,1H3.
What are the key properties of 1-(8-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine?
1-(8-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine has a molecular weight of 200.67 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine is sourced from PubChem (CID 112711678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).