2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C13H19N5 — CID 117257524

IUPAC2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNc1cccc2nc(CN3CCCCCC3)nn12
InChIInChI=1S/C13H19N5/c14-11-6-5-7-13-15-12(16-18(11)13)10-17-8-3-1-2-4-9-17/h5-7H,1-4,8-10,14H2
InChIKeyDOEYBHBAPPYMKH-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.69
Rot. Bonds2

About 2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 117257524) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID117257524
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNc1cccc2nc(CN3CCCCCC3)nn12
InChIInChI=1S/C13H19N5/c14-11-6-5-7-13-15-12(16-18(11)13)10-17-8-3-1-2-4-9-17/h5-7H,1-4,8-10,14H2
InChIKeyDOEYBHBAPPYMKH-UHFFFAOYSA-N
XLogP1.69
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 117257524) is 2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Nc1cccc2nc(CN3CCCCCC3)nn12.
What is the InChIKey of 2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is DOEYBHBAPPYMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c14-11-6-5-7-13-15-12(16-18(11)13)10-17-8-3-1-2-4-9-17/h5-7H,1-4,8-10,14H2.
What are the key properties of 2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 245.33 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 117257524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).