7-oxo-N-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

C12H11N5O2 — CID 3892959

IUPAC7-oxo-N-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)C1CC(=O)n2ncnc2N1
InChIInChI=1S/C12H11N5O2/c18-10-6-9(16-12-13-7-14-17(10)12)11(19)15-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,15,19)(H,13,14,16)
InChIKeyNFFBWKQNNUGBNY-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.74
Rot. Bonds2

About 7-oxo-N-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

7-oxo-N-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 3892959) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 7-oxo-N-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-oxo-N-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID3892959
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name7-oxo-N-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)C1CC(=O)n2ncnc2N1
InChIInChI=1S/C12H11N5O2/c18-10-6-9(16-12-13-7-14-17(10)12)11(19)15-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,15,19)(H,13,14,16)
InChIKeyNFFBWKQNNUGBNY-UHFFFAOYSA-N
XLogP0.74
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-N-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-oxo-N-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 3892959) is 7-oxo-N-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-oxo-N-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-oxo-N-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is O=C(Nc1ccccc1)C1CC(=O)n2ncnc2N1.
What is the InChIKey of 7-oxo-N-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is NFFBWKQNNUGBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c18-10-6-9(16-12-13-7-14-17(10)12)11(19)15-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,15,19)(H,13,14,16).
What are the key properties of 7-oxo-N-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
7-oxo-N-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-N-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 3892959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).