N-[[1-(3-fluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methyl]pyrazine-2-carboxamide

C18H18FN7O2 — CID 10309426

IUPACN-[[1-(3-fluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1cn(-c2ccc(N3CCOCC3)c(F)c2)nn1)c1cnccn1
InChIInChI=1S/C18H18FN7O2/c19-15-9-14(1-2-17(15)25-5-7-28-8-6-25)26-12-13(23-24-26)10-22-18(27)16-11-20-3-4-21-16/h1-4,9,11-12H,5-8,10H2,(H,22,27)
InChIKeyNDOWSEMUZIHXOF-UHFFFAOYSA-N
MW383.39 g/mol
LogP0.96
Rot. Bonds5

About N-[[1-(3-fluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methyl]pyrazine-2-carboxamide

N-[[1-(3-fluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methyl]pyrazine-2-carboxamide (PubChem CID 10309426) has the molecular formula C18H18FN7O2 and a molecular weight of 383.39 g/mol. Its IUPAC name is N-[[1-(3-fluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-fluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methyl]pyrazine-2-carboxamide
PubChem CID10309426
Molecular FormulaC18H18FN7O2
Molecular Weight383.39 g/mol
Exact Mass383.15
IUPAC NameN-[[1-(3-fluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1cn(-c2ccc(N3CCOCC3)c(F)c2)nn1)c1cnccn1
InChIInChI=1S/C18H18FN7O2/c19-15-9-14(1-2-17(15)25-5-7-28-8-6-25)26-12-13(23-24-26)10-22-18(27)16-11-20-3-4-21-16/h1-4,9,11-12H,5-8,10H2,(H,22,27)
InChIKeyNDOWSEMUZIHXOF-UHFFFAOYSA-N
XLogP0.96
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[1-(3-fluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methyl]pyrazine-2-carboxamide (CID 10309426) is N-[[1-(3-fluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[1-(3-fluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[1-(3-fluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methyl]pyrazine-2-carboxamide is O=C(NCc1cn(-c2ccc(N3CCOCC3)c(F)c2)nn1)c1cnccn1.
What is the InChIKey of N-[[1-(3-fluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is NDOWSEMUZIHXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7O2/c19-15-9-14(1-2-17(15)25-5-7-28-8-6-25)26-12-13(23-24-26)10-22-18(27)16-11-20-3-4-21-16/h1-4,9,11-12H,5-8,10H2,(H,22,27).
What are the key properties of N-[[1-(3-fluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methyl]pyrazine-2-carboxamide?
N-[[1-(3-fluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 383.39 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 10309426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).