2-[8-(aminomethyl)-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine

C17H25N5 — CID 82566163

IUPAC2-[8-(aminomethyl)-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1nc2n(n1)C(c1ccccc1)CCC2CN
InChIInChI=1S/C17H25N5/c1-21(2)11-10-16-19-17-14(12-18)8-9-15(22(17)20-16)13-6-4-3-5-7-13/h3-7,14-15H,8-12,18H2,1-2H3
InChIKeyJYZKUXMSBJRGKA-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.81
Rot. Bonds5

About 2-[8-(aminomethyl)-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine

2-[8-(aminomethyl)-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine (PubChem CID 82566163) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[8-(aminomethyl)-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[8-(aminomethyl)-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine
PubChem CID82566163
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-[8-(aminomethyl)-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1nc2n(n1)C(c1ccccc1)CCC2CN
InChIInChI=1S/C17H25N5/c1-21(2)11-10-16-19-17-14(12-18)8-9-15(22(17)20-16)13-6-4-3-5-7-13/h3-7,14-15H,8-12,18H2,1-2H3
InChIKeyJYZKUXMSBJRGKA-UHFFFAOYSA-N
XLogP1.81
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(aminomethyl)-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[8-(aminomethyl)-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine (CID 82566163) is 2-[8-(aminomethyl)-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[8-(aminomethyl)-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[8-(aminomethyl)-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine is CN(C)CCc1nc2n(n1)C(c1ccccc1)CCC2CN.
What is the InChIKey of 2-[8-(aminomethyl)-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine?
The InChIKey is JYZKUXMSBJRGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-21(2)11-10-16-19-17-14(12-18)8-9-15(22(17)20-16)13-6-4-3-5-7-13/h3-7,14-15H,8-12,18H2,1-2H3.
What are the key properties of 2-[8-(aminomethyl)-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine?
2-[8-(aminomethyl)-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine has a molecular weight of 299.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(aminomethyl)-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 82566163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).