N-pyrimidin-4-yl-N-(trifluoromethyl)pyrazine-2-carboxamide

C10H6F3N5O — CID 118873309

IUPACN-pyrimidin-4-yl-N-(trifluoromethyl)pyrazine-2-carboxamide
SMILESO=C(c1cnccn1)N(c1ccncn1)C(F)(F)F
InChIInChI=1S/C10H6F3N5O/c11-10(12,13)18(8-1-2-15-6-17-8)9(19)7-5-14-3-4-16-7/h1-6H
InChIKeyASGWFDUUAJPUOW-UHFFFAOYSA-N
MW269.19 g/mol
LogP1.43
Rot. Bonds2

About N-pyrimidin-4-yl-N-(trifluoromethyl)pyrazine-2-carboxamide

N-pyrimidin-4-yl-N-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 118873309) has the molecular formula C10H6F3N5O and a molecular weight of 269.19 g/mol. Its IUPAC name is N-pyrimidin-4-yl-N-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-pyrimidin-4-yl-N-(trifluoromethyl)pyrazine-2-carboxamide
PubChem CID118873309
Molecular FormulaC10H6F3N5O
Molecular Weight269.19 g/mol
Exact Mass269.05
IUPAC NameN-pyrimidin-4-yl-N-(trifluoromethyl)pyrazine-2-carboxamide
SMILESO=C(c1cnccn1)N(c1ccncn1)C(F)(F)F
InChIInChI=1S/C10H6F3N5O/c11-10(12,13)18(8-1-2-15-6-17-8)9(19)7-5-14-3-4-16-7/h1-6H
InChIKeyASGWFDUUAJPUOW-UHFFFAOYSA-N
XLogP1.43
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-4-yl-N-(trifluoromethyl)pyrazine-2-carboxamide?
The IUPAC name of N-pyrimidin-4-yl-N-(trifluoromethyl)pyrazine-2-carboxamide (CID 118873309) is N-pyrimidin-4-yl-N-(trifluoromethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-pyrimidin-4-yl-N-(trifluoromethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-pyrimidin-4-yl-N-(trifluoromethyl)pyrazine-2-carboxamide is O=C(c1cnccn1)N(c1ccncn1)C(F)(F)F.
What is the InChIKey of N-pyrimidin-4-yl-N-(trifluoromethyl)pyrazine-2-carboxamide?
The InChIKey is ASGWFDUUAJPUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N5O/c11-10(12,13)18(8-1-2-15-6-17-8)9(19)7-5-14-3-4-16-7/h1-6H.
What are the key properties of N-pyrimidin-4-yl-N-(trifluoromethyl)pyrazine-2-carboxamide?
N-pyrimidin-4-yl-N-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 269.19 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-4-yl-N-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118873309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).