N-methyl-7-[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide

C19H19F3N6O3 — CID 176734367

IUPACN-methyl-7-[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc2n(n1)CCN(C(=O)CNC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C19H19F3N6O3/c1-23-18(31)17-25-14-11-27(8-9-28(14)26-17)16(30)10-24-15(29)7-4-12-2-5-13(6-3-12)19(20,21)22/h2-7H,8-11H2,1H3,(H,23,31)(H,24,29)/b7-4+
InChIKeyQFLVFABJRJHBPY-QPJJXVBHSA-N
MW436.39 g/mol
LogP0.83
Rot. Bonds5

About N-methyl-7-[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide

N-methyl-7-[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 176734367) has the molecular formula C19H19F3N6O3 and a molecular weight of 436.39 g/mol. Its IUPAC name is N-methyl-7-[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID176734367
Molecular FormulaC19H19F3N6O3
Molecular Weight436.39 g/mol
Exact Mass436.15
IUPAC NameN-methyl-7-[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc2n(n1)CCN(C(=O)CNC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C19H19F3N6O3/c1-23-18(31)17-25-14-11-27(8-9-28(14)26-17)16(30)10-24-15(29)7-4-12-2-5-13(6-3-12)19(20,21)22/h2-7H,8-11H2,1H3,(H,23,31)(H,24,29)/b7-4+
InChIKeyQFLVFABJRJHBPY-QPJJXVBHSA-N
XLogP0.83
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-methyl-7-[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide (CID 176734367) is N-methyl-7-[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-7-[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-7-[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide is CNC(=O)c1nc2n(n1)CCN(C(=O)CNC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of N-methyl-7-[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is QFLVFABJRJHBPY-QPJJXVBHSA-N. The full InChI is InChI=1S/C19H19F3N6O3/c1-23-18(31)17-25-14-11-27(8-9-28(14)26-17)16(30)10-24-15(29)7-4-12-2-5-13(6-3-12)19(20,21)22/h2-7H,8-11H2,1H3,(H,23,31)(H,24,29)/b7-4+.
What are the key properties of N-methyl-7-[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide?
N-methyl-7-[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 436.39 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 176734367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).