6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide

C14H21N5O — CID 43703569

IUPAC6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide
SMILESCC(NC(=O)CCCCCN)c1nnc2ccccn12
InChIInChI=1S/C14H21N5O/c1-11(16-13(20)8-3-2-5-9-15)14-18-17-12-7-4-6-10-19(12)14/h4,6-7,10-11H,2-3,5,8-9,15H2,1H3,(H,16,20)
InChIKeyXMNXDHGQTMIYFP-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.43
Rot. Bonds7

About 6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide

6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide (PubChem CID 43703569) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide
PubChem CID43703569
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide
SMILESCC(NC(=O)CCCCCN)c1nnc2ccccn12
InChIInChI=1S/C14H21N5O/c1-11(16-13(20)8-3-2-5-9-15)14-18-17-12-7-4-6-10-19(12)14/h4,6-7,10-11H,2-3,5,8-9,15H2,1H3,(H,16,20)
InChIKeyXMNXDHGQTMIYFP-UHFFFAOYSA-N
XLogP1.43
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentan-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 3961316
N-[3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]cyclopentanecarboxamide
CID 17582153
2-methyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide
CID 1484231
2,2-dimethyl-N-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide
CID 1484232
N-(3-methylbutylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2622635
2-([1,2,4]Triazolo[4,3-a]pyridin-3-ylthio)propanamide
CID 4335968
N-ethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 8891445
1-(2-Methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 4085139
N-(2-methylpropyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 4882475
N-[(3R)-1-(2,6-dimethylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide
CID 135217259
Methyl({[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl})amine
CID 24706404
N-[1,2,4]triazolo[1,5-a]pyridin-8-ylpentanamide
CID 4272027

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide?
The IUPAC name of 6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide (CID 43703569) is 6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide.
What is the SMILES notation for 6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide?
The canonical SMILES for 6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide is CC(NC(=O)CCCCCN)c1nnc2ccccn12.
What is the InChIKey of 6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide?
The InChIKey is XMNXDHGQTMIYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11(16-13(20)8-3-2-5-9-15)14-18-17-12-7-4-6-10-19(12)14/h4,6-7,10-11H,2-3,5,8-9,15H2,1H3,(H,16,20).
What are the key properties of 6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide?
6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide has a molecular weight of 275.36 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide is sourced from PubChem (CID 43703569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).