7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C11H15N5O3 — CID 82722092

IUPAC7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)NOCCOC)cnc2ncnn12
InChIInChI=1S/C11H15N5O3/c1-3-9-8(10(17)15-19-5-4-18-2)6-12-11-13-7-14-16(9)11/h6-7H,3-5H2,1-2H3,(H,15,17)
InChIKeyZJFLYRQOUASLLU-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.01
Rot. Bonds6

About 7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 82722092) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID82722092
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)NOCCOC)cnc2ncnn12
InChIInChI=1S/C11H15N5O3/c1-3-9-8(10(17)15-19-5-4-18-2)6-12-11-13-7-14-16(9)11/h6-7H,3-5H2,1-2H3,(H,15,17)
InChIKeyZJFLYRQOUASLLU-UHFFFAOYSA-N
XLogP-0.01
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 82722092) is 7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCc1c(C(=O)NOCCOC)cnc2ncnn12.
What is the InChIKey of 7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ZJFLYRQOUASLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-3-9-8(10(17)15-19-5-4-18-2)6-12-11-13-7-14-16(9)11/h6-7H,3-5H2,1-2H3,(H,15,17).
What are the key properties of 7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 265.27 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 82722092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).