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

C11H20N4 — CID 83866026

IUPAC2-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanamine
SMILESCC(C)c1nc2n(n1)CC(CCN)CC2
InChIInChI=1S/C11H20N4/c1-8(2)11-13-10-4-3-9(5-6-12)7-15(10)14-11/h8-9H,3-7,12H2,1-2H3
InChIKeyNTVKJUFXMQZHTE-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.31
Rot. Bonds3

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

2-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanamine (PubChem CID 83866026) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanamine.

Molecular Properties

Compound Name2-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanamine
PubChem CID83866026
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanamine
SMILESCC(C)c1nc2n(n1)CC(CCN)CC2
InChIInChI=1S/C11H20N4/c1-8(2)11-13-10-4-3-9(5-6-12)7-15(10)14-11/h8-9H,3-7,12H2,1-2H3
InChIKeyNTVKJUFXMQZHTE-UHFFFAOYSA-N
XLogP1.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanamine?
The IUPAC name of 2-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanamine (CID 83866026) is 2-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanamine.
What is the SMILES notation for 2-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanamine?
The canonical SMILES for 2-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanamine is CC(C)c1nc2n(n1)CC(CCN)CC2.
What is the InChIKey of 2-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanamine?
The InChIKey is NTVKJUFXMQZHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(2)11-13-10-4-3-9(5-6-12)7-15(10)14-11/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 2-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanamine?
2-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanamine has a molecular weight of 208.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanamine is sourced from PubChem (CID 83866026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).