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

C14H15N5O3 — CID 2981350

IUPACN-(2-ethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CC(=O)n2ncnc2N1
InChIInChI=1S/C14H15N5O3/c1-2-22-11-6-4-3-5-9(11)17-13(21)10-7-12(20)19-14(18-10)15-8-16-19/h3-6,8,10H,2,7H2,1H3,(H,17,21)(H,15,16,18)
InChIKeyLKCZVVICHYTTFG-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.14
Rot. Bonds4

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

N-(2-ethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 2981350) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID2981350
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC NameN-(2-ethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CC(=O)n2ncnc2N1
InChIInChI=1S/C14H15N5O3/c1-2-22-11-6-4-3-5-9(11)17-13(21)10-7-12(20)19-14(18-10)15-8-16-19/h3-6,8,10H,2,7H2,1H3,(H,17,21)(H,15,16,18)
InChIKeyLKCZVVICHYTTFG-UHFFFAOYSA-N
XLogP1.14
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 2981350) is N-(2-ethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is CCOc1ccccc1NC(=O)C1CC(=O)n2ncnc2N1.
What is the InChIKey of N-(2-ethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is LKCZVVICHYTTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-2-22-11-6-4-3-5-9(11)17-13(21)10-7-12(20)19-14(18-10)15-8-16-19/h3-6,8,10H,2,7H2,1H3,(H,17,21)(H,15,16,18).
What are the key properties of N-(2-ethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
N-(2-ethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 2981350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).