N-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C12H17N5O — CID 84614345

IUPACN-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCc1nnc2ccc(C(=O)NCCCN)cn12
InChIInChI=1S/C12H17N5O/c1-2-10-15-16-11-5-4-9(8-17(10)11)12(18)14-7-3-6-13/h4-5,8H,2-3,6-7,13H2,1H3,(H,14,18)
InChIKeyRINSIVWIPSWNLH-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.37
Rot. Bonds5

About N-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 84614345) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID84614345
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCc1nnc2ccc(C(=O)NCCCN)cn12
InChIInChI=1S/C12H17N5O/c1-2-10-15-16-11-5-4-9(8-17(10)11)12(18)14-7-3-6-13/h4-5,8H,2-3,6-7,13H2,1H3,(H,14,18)
InChIKeyRINSIVWIPSWNLH-UHFFFAOYSA-N
XLogP0.37
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.37
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-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 50784714
3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 50784700
N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 84614323
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
3-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134799949
3-cyclopropyl-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134797761
N-(3-aminopropyl)-1-methylbenzotriazole-5-carboxamide
CID 119404950
3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62387950
N-hexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 68796072
3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117257179
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide
CID 82097442
N-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111483300

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 84614345) is N-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CCc1nnc2ccc(C(=O)NCCCN)cn12.
What is the InChIKey of N-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is RINSIVWIPSWNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-10-15-16-11-5-4-9(8-17(10)11)12(18)14-7-3-6-13/h4-5,8H,2-3,6-7,13H2,1H3,(H,14,18).
What are the key properties of N-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 84614345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).