(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)prop-2-enamide

C19H16F3N7O2 — CID 159733153

About (Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)prop-2-enamide

(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)prop-2-enamide (PubChem CID 159733153) has the molecular formula C19H16F3N7O2 and a molecular weight of 431.38 g/mol. Its IUPAC name is (Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)prop-2-enamide.

Molecular Properties

• Compound Name: (Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)prop-2-enamide
• PubChem CID: 159733153
• Molecular Formula: C19H16F3N7O2
• Molecular Weight: 431.38 g/mol
• Exact Mass: 431.13
• IUPAC Name: (Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)prop-2-enamide
• SMILES: Cc1cc(-c2ncn(/C=C\C(=O)NN3CCn4ccnc4C3=O)n2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C19H16F3N7O2/c1-12-8-13(10-14(9-12)19(20,21)22)16-24-11-28(26-16)4-2-15(30)25-29-7-6-27-5-3-23-17(27)18(29)31/h2-5,8-11H,6-7H2,1H3,(H,25,30)/b4-2-
• InChIKey: NBMMHUMQNSCWFV-RQOWECAXSA-N
• XLogP: 2.13
• TPSA: 97.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.38
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)prop-2-enamide?

The IUPAC name of (Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)prop-2-enamide (CID 159733153) is (Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)prop-2-enamide.

What is the SMILES notation for (Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)prop-2-enamide?

The canonical SMILES for (Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)prop-2-enamide is Cc1cc(-c2ncn(/C=C\C(=O)NN3CCn4ccnc4C3=O)n2)cc(C(F)(F)F)c1.

What is the InChIKey of (Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)prop-2-enamide?

The InChIKey is NBMMHUMQNSCWFV-RQOWECAXSA-N. The full InChI is InChI=1S/C19H16F3N7O2/c1-12-8-13(10-14(9-12)19(20,21)22)16-24-11-28(26-16)4-2-15(30)25-29-7-6-27-5-3-23-17(27)18(29)31/h2-5,8-11H,6-7H2,1H3,(H,25,30)/b4-2-.

What are the key properties of (Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)prop-2-enamide?

(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)prop-2-enamide has a molecular weight of 431.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)prop-2-enamide is sourced from PubChem (CID 159733153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).