ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C8H9N5O2 — CID 974047

IUPACethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2ncnn2c1N
InChIInChI=1S/C8H9N5O2/c1-2-15-7(14)5-3-10-8-11-4-12-13(8)6(5)9/h3-4H,2,9H2,1H3
InChIKeyWXSXMQHHGMMINY-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.12
Rot. Bonds2

About ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 974047) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID974047
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Nameethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2ncnn2c1N
InChIInChI=1S/C8H9N5O2/c1-2-15-7(14)5-3-10-8-11-4-12-13(8)6(5)9/h3-4H,2,9H2,1H3
InChIKeyWXSXMQHHGMMINY-UHFFFAOYSA-N
XLogP-0.12
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 974047) is ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2ncnn2c1N.
What is the InChIKey of ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is WXSXMQHHGMMINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-2-15-7(14)5-3-10-8-11-4-12-13(8)6(5)9/h3-4H,2,9H2,1H3.
What are the key properties of ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 207.19 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 974047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).