5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C18H16N6O — CID 69483563

IUPAC5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1[nH]nc2c(NCCc3cccnc3)ncc(-c3ccccc3)n12
InChIInChI=1S/C18H16N6O/c25-18-23-22-17-16(20-10-8-13-5-4-9-19-11-13)21-12-15(24(17)18)14-6-2-1-3-7-14/h1-7,9,11-12H,8,10H2,(H,20,21)(H,23,25)
InChIKeyDJRVXNJJYZOXQG-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.13
Rot. Bonds5

About 5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 69483563) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID69483563
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1[nH]nc2c(NCCc3cccnc3)ncc(-c3ccccc3)n12
InChIInChI=1S/C18H16N6O/c25-18-23-22-17-16(20-10-8-13-5-4-9-19-11-13)21-12-15(24(17)18)14-6-2-1-3-7-14/h1-7,9,11-12H,8,10H2,(H,20,21)(H,23,25)
InChIKeyDJRVXNJJYZOXQG-UHFFFAOYSA-N
XLogP2.13
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one with MolForge

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Related Compounds

3-(2-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrazin-8-amine
CID 126472598
6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282431
6-methyl-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 71468914
1-methyl-5-phenyl-N-(pyridin-3-ylmethyl)imidazol-2-amine
CID 51361863
5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80791970
3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 60914274
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
2-ethyl-N-(2-pyridin-3-ylethyl)aniline
CID 55169393
1-(2-hydroxyethyl)-3-(2-pyridin-3-ylethylamino)pyrazin-2-one
CID 23072658
2-iodo-N-(2-pyridin-3-ylethyl)aniline
CID 63264504
6-chloro-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 71469038
2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 60725697

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 69483563) is 5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1[nH]nc2c(NCCc3cccnc3)ncc(-c3ccccc3)n12.
What is the InChIKey of 5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is DJRVXNJJYZOXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c25-18-23-22-17-16(20-10-8-13-5-4-9-19-11-13)21-12-15(24(17)18)14-6-2-1-3-7-14/h1-7,9,11-12H,8,10H2,(H,20,21)(H,23,25).
What are the key properties of 5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 332.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 69483563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).