N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]prop-2-enamide

C20H16N6O2 — CID 155521694

IUPACN-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1
InChIInChI=1S/C20H16N6O2/c1-2-17(27)22-14-10-8-13(9-11-14)16-12-25-19(18(21)23-16)24-26(20(25)28)15-6-4-3-5-7-15/h2-12H,1H2,(H2,21,23)(H,22,27)
InChIKeyQJKKKFYLHKLADL-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.25
Rot. Bonds4

About N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]prop-2-enamide

N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]prop-2-enamide (PubChem CID 155521694) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]prop-2-enamide
PubChem CID155521694
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC NameN-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1
InChIInChI=1S/C20H16N6O2/c1-2-17(27)22-14-10-8-13(9-11-14)16-12-25-19(18(21)23-16)24-26(20(25)28)15-6-4-3-5-7-15/h2-12H,1H2,(H2,21,23)(H,22,27)
InChIKeyQJKKKFYLHKLADL-UHFFFAOYSA-N
XLogP2.25
TPSA107.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenoxy]ethyl]-4-sulfamoylbenzamide
CID 162668343
8-amino-6-(2,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155519148
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 139018825
N-[4-(6-anilinopyrimidin-4-yl)phenyl]prop-2-enamide
CID 174978109
N-[4-(1,2,4-triazol-4-yl)phenyl]prop-2-enamide
CID 167921326
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 21498516
N-(4-pyrimidin-5-ylphenyl)prop-2-enamide
CID 166406957
N-[3-(2-amino-4,7-dioxo-6-phenyl-3H-pteridin-8-yl)phenyl]prop-2-enamide
CID 175882507
N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide
CID 42825343
N-[4-[7-(diethylamino)-3-phenylbenzo[f]indazol-1-yl]phenyl]prop-2-enamide
CID 102453447
4-[5-(1-hydrazinylethenyl)-1-phenylpyrazol-3-yl]aniline
CID 170234637

Frequently Asked Questions

What is the IUPAC name of N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]prop-2-enamide (CID 155521694) is N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1.
What is the InChIKey of N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]prop-2-enamide?
The InChIKey is QJKKKFYLHKLADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-2-17(27)22-14-10-8-13(9-11-14)16-12-25-19(18(21)23-16)24-26(20(25)28)15-6-4-3-5-7-15/h2-12H,1H2,(H2,21,23)(H,22,27).
What are the key properties of N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]prop-2-enamide?
N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]prop-2-enamide has a molecular weight of 372.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 155521694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).