5-(1,4-diazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C11H16N6 — CID 82555376

IUPAC5-(1,4-diazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2cccc(N3CCCNCC3)n2n1
InChIInChI=1S/C11H16N6/c12-11-14-9-3-1-4-10(17(9)15-11)16-7-2-5-13-6-8-16/h1,3-4,13H,2,5-8H2,(H2,12,15)
InChIKeyWPWCGNIEKYAHHT-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.11
Rot. Bonds1

About 5-(1,4-diazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(1,4-diazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82555376) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-(1,4-diazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(1,4-diazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82555376
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name5-(1,4-diazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2cccc(N3CCCNCC3)n2n1
InChIInChI=1S/C11H16N6/c12-11-14-9-3-1-4-10(17(9)15-11)16-7-2-5-13-6-8-16/h1,3-4,13H,2,5-8H2,(H2,12,15)
InChIKeyWPWCGNIEKYAHHT-UHFFFAOYSA-N
XLogP0.11
TPSA71.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 68705137
3-(1,4-diazepan-1-yl)aniline
CID 22478590
5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine
CID 115371975
1-(3-methyltriazol-4-yl)-1,4-diazepane
CID 114689941
2-amino-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
CID 59276463
5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;pyrrolidine
CID 168925117
4-(1,4-diazepan-1-yl)pyridin-3-amine
CID 89066011
5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 158887436
5-methyl-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 82270537
2-(1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 82276271
2-(1,4-diazepan-1-yl)-4-propan-2-yl-1H-benzimidazole
CID 84637470
5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 175818146

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-diazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(1,4-diazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82555376) is 5-(1,4-diazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(1,4-diazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(1,4-diazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1nc2cccc(N3CCCNCC3)n2n1.
What is the InChIKey of 5-(1,4-diazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is WPWCGNIEKYAHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c12-11-14-9-3-1-4-10(17(9)15-11)16-7-2-5-13-6-8-16/h1,3-4,13H,2,5-8H2,(H2,12,15).
What are the key properties of 5-(1,4-diazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(1,4-diazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 232.29 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-diazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82555376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).