8-(3-imidazol-1-ylpropylamino)-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C13H16N6O — CID 71002969

IUPAC8-(3-imidazol-1-ylpropylamino)-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cc(NCCCn2ccnc2)c2n[nH]c(=O)n2c1
InChIInChI=1S/C13H16N6O/c1-10-7-11(12-16-17-13(20)19(12)8-10)15-3-2-5-18-6-4-14-9-18/h4,6-9,15H,2-3,5H2,1H3,(H,17,20)
InChIKeyCXAYIGOSAAACEE-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.03
Rot. Bonds5

About 8-(3-imidazol-1-ylpropylamino)-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

8-(3-imidazol-1-ylpropylamino)-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 71002969) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 8-(3-imidazol-1-ylpropylamino)-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name8-(3-imidazol-1-ylpropylamino)-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID71002969
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name8-(3-imidazol-1-ylpropylamino)-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cc(NCCCn2ccnc2)c2n[nH]c(=O)n2c1
InChIInChI=1S/C13H16N6O/c1-10-7-11(12-16-17-13(20)19(12)8-10)15-3-2-5-18-6-4-14-9-18/h4,6-9,15H,2-3,5H2,1H3,(H,17,20)
InChIKeyCXAYIGOSAAACEE-UHFFFAOYSA-N
XLogP1.03
TPSA80.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 71468914
N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
CID 54960830
7-(4-imidazol-1-ylbutylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282513
5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one
CID 78913344
4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one
CID 114392088
N-(3-imidazol-1-ylpropyl)-5-methylpyridazin-3-amine
CID 106549494
N-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66481735
N-(3-imidazol-1-ylpropyl)-2-nitropyridin-3-amine
CID 112685068
2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
N-(3-imidazol-1-ylpropyl)-6-methylpyrimidin-4-amine
CID 61225498
4-N-(3-imidazol-1-ylpropyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80753606
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956

Frequently Asked Questions

What is the IUPAC name of 8-(3-imidazol-1-ylpropylamino)-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 8-(3-imidazol-1-ylpropylamino)-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 71002969) is 8-(3-imidazol-1-ylpropylamino)-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 8-(3-imidazol-1-ylpropylamino)-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 8-(3-imidazol-1-ylpropylamino)-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1cc(NCCCn2ccnc2)c2n[nH]c(=O)n2c1.
What is the InChIKey of 8-(3-imidazol-1-ylpropylamino)-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is CXAYIGOSAAACEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-10-7-11(12-16-17-13(20)19(12)8-10)15-3-2-5-18-6-4-14-9-18/h4,6-9,15H,2-3,5H2,1H3,(H,17,20).
What are the key properties of 8-(3-imidazol-1-ylpropylamino)-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
8-(3-imidazol-1-ylpropylamino)-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 272.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-imidazol-1-ylpropylamino)-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 71002969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).