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

C14H14N6O3 — CID 162659823

IUPAC5-amino-2-(3,5-dihydroxyphenyl)-N-ethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
SMILESCCNC(=O)c1cnc(N)n2nc(-c3cc(O)cc(O)c3)nc12
InChIInChI=1S/C14H14N6O3/c1-2-16-13(23)10-6-17-14(15)20-12(10)18-11(19-20)7-3-8(21)5-9(22)4-7/h3-6,21-22H,2H2,1H3,(H2,15,17)(H,16,23)
InChIKeyMMHPRLLDCIBZPL-UHFFFAOYSA-N
MW314.31 g/mol
LogP0.53
Rot. Bonds3

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

5-amino-2-(3,5-dihydroxyphenyl)-N-ethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide (PubChem CID 162659823) has the molecular formula C14H14N6O3 and a molecular weight of 314.31 g/mol. Its IUPAC name is 5-amino-2-(3,5-dihydroxyphenyl)-N-ethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name5-amino-2-(3,5-dihydroxyphenyl)-N-ethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
PubChem CID162659823
Molecular FormulaC14H14N6O3
Molecular Weight314.31 g/mol
Exact Mass314.11
IUPAC Name5-amino-2-(3,5-dihydroxyphenyl)-N-ethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
SMILESCCNC(=O)c1cnc(N)n2nc(-c3cc(O)cc(O)c3)nc12
InChIInChI=1S/C14H14N6O3/c1-2-16-13(23)10-6-17-14(15)20-12(10)18-11(19-20)7-3-8(21)5-9(22)4-7/h3-6,21-22H,2H2,1H3,(H2,15,17)(H,16,23)
InChIKeyMMHPRLLDCIBZPL-UHFFFAOYSA-N
XLogP0.53
TPSA138.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,5-dihydroxyphenyl)-N-ethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
The IUPAC name of 5-amino-2-(3,5-dihydroxyphenyl)-N-ethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide (CID 162659823) is 5-amino-2-(3,5-dihydroxyphenyl)-N-ethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 5-amino-2-(3,5-dihydroxyphenyl)-N-ethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
The canonical SMILES for 5-amino-2-(3,5-dihydroxyphenyl)-N-ethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide is CCNC(=O)c1cnc(N)n2nc(-c3cc(O)cc(O)c3)nc12.
What is the InChIKey of 5-amino-2-(3,5-dihydroxyphenyl)-N-ethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
The InChIKey is MMHPRLLDCIBZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3/c1-2-16-13(23)10-6-17-14(15)20-12(10)18-11(19-20)7-3-8(21)5-9(22)4-7/h3-6,21-22H,2H2,1H3,(H2,15,17)(H,16,23).
What are the key properties of 5-amino-2-(3,5-dihydroxyphenyl)-N-ethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
5-amino-2-(3,5-dihydroxyphenyl)-N-ethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide has a molecular weight of 314.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,5-dihydroxyphenyl)-N-ethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 162659823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).