5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C18H13F3N6O2 — CID 4908463

IUPAC5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2C(F)(F)F)n2nc(-c3cccnc3)nc2N1
InChIInChI=1S/C18H13F3N6O2/c19-18(20,21)11-5-1-2-6-12(11)23-16(29)13-8-14(28)24-17-25-15(26-27(13)17)10-4-3-7-22-9-10/h1-7,9,13H,8H2,(H,23,29)(H,24,25,26,28)
InChIKeyPDOVGNQUWLIRLX-UHFFFAOYSA-N
MW402.34 g/mol
LogP2.88
Rot. Bonds3

About 5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 4908463) has the molecular formula C18H13F3N6O2 and a molecular weight of 402.34 g/mol. Its IUPAC name is 5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID4908463
Molecular FormulaC18H13F3N6O2
Molecular Weight402.34 g/mol
Exact Mass402.11
IUPAC Name5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2C(F)(F)F)n2nc(-c3cccnc3)nc2N1
InChIInChI=1S/C18H13F3N6O2/c19-18(20,21)11-5-1-2-6-12(11)23-16(29)13-8-14(28)24-17-25-15(26-27(13)17)10-4-3-7-22-9-10/h1-7,9,13H,8H2,(H,23,29)(H,24,25,26,28)
InChIKeyPDOVGNQUWLIRLX-UHFFFAOYSA-N
XLogP2.88
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 4908463) is 5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is O=C1CC(C(=O)Nc2ccccc2C(F)(F)F)n2nc(-c3cccnc3)nc2N1.
What is the InChIKey of 5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is PDOVGNQUWLIRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6O2/c19-18(20,21)11-5-1-2-6-12(11)23-16(29)13-8-14(28)24-17-25-15(26-27(13)17)10-4-3-7-22-9-10/h1-7,9,13H,8H2,(H,23,29)(H,24,25,26,28).
What are the key properties of 5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 402.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 4908463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).