6-(azepan-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H19N5 — CID 82555438

IUPAC6-(azepan-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc2nc(N)nn2cc1N1CCCCCC1
InChIInChI=1S/C13H19N5/c1-10-8-12-15-13(14)16-18(12)9-11(10)17-6-4-2-3-5-7-17/h8-9H,2-7H2,1H3,(H2,14,16)
InChIKeyUUTFVYPIYULTGE-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.00
Rot. Bonds1

About 6-(azepan-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-(azepan-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82555438) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-(azepan-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82555438
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name6-(azepan-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc2nc(N)nn2cc1N1CCCCCC1
InChIInChI=1S/C13H19N5/c1-10-8-12-15-13(14)16-18(12)9-11(10)17-6-4-2-3-5-7-17/h8-9H,2-7H2,1H3,(H2,14,16)
InChIKeyUUTFVYPIYULTGE-UHFFFAOYSA-N
XLogP2.00
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-(azepan-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82555438) is 6-(azepan-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-(azepan-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-(azepan-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc2nc(N)nn2cc1N1CCCCCC1.
What is the InChIKey of 6-(azepan-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is UUTFVYPIYULTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-8-12-15-13(14)16-18(12)9-11(10)17-6-4-2-3-5-7-17/h8-9H,2-7H2,1H3,(H2,14,16).
What are the key properties of 6-(azepan-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-(azepan-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82555438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).