5-amino-N-ethyl-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide

C14H14N6O2 — CID 162643136

IUPAC5-amino-N-ethyl-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
SMILESCCNC(=O)c1cnc(N)n2nc(-c3cccc(O)c3)nc12
InChIInChI=1S/C14H14N6O2/c1-2-16-13(22)10-7-17-14(15)20-12(10)18-11(19-20)8-4-3-5-9(21)6-8/h3-7,21H,2H2,1H3,(H2,15,17)(H,16,22)
InChIKeyBXKGQASXPLCNRU-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.83
Rot. Bonds3

About 5-amino-N-ethyl-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide

5-amino-N-ethyl-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide (PubChem CID 162643136) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 5-amino-N-ethyl-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
PubChem CID162643136
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name5-amino-N-ethyl-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
SMILESCCNC(=O)c1cnc(N)n2nc(-c3cccc(O)c3)nc12
InChIInChI=1S/C14H14N6O2/c1-2-16-13(22)10-7-17-14(15)20-12(10)18-11(19-20)8-4-3-5-9(21)6-8/h3-7,21H,2H2,1H3,(H2,15,17)(H,16,22)
InChIKeyBXKGQASXPLCNRU-UHFFFAOYSA-N
XLogP0.83
TPSA118.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
The IUPAC name of 5-amino-N-ethyl-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide (CID 162643136) is 5-amino-N-ethyl-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide is CCNC(=O)c1cnc(N)n2nc(-c3cccc(O)c3)nc12.
What is the InChIKey of 5-amino-N-ethyl-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
The InChIKey is BXKGQASXPLCNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-2-16-13(22)10-7-17-14(15)20-12(10)18-11(19-20)8-4-3-5-9(21)6-8/h3-7,21H,2H2,1H3,(H2,15,17)(H,16,22).
What are the key properties of 5-amino-N-ethyl-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
5-amino-N-ethyl-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide has a molecular weight of 298.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 162643136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).