3-(4-ethoxyphenyl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine

C17H18N8O — CID 71668068

IUPAC3-(4-ethoxyphenyl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILESCCOc1ccc(-n2nnc3cnc(Nc4cnn(CC)c4)nc32)cc1
InChIInChI=1S/C17H18N8O/c1-3-24-11-12(9-19-24)20-17-18-10-15-16(21-17)25(23-22-15)13-5-7-14(8-6-13)26-4-2/h5-11H,3-4H2,1-2H3,(H,18,20,21)
InChIKeyGHSDAEZBBADQNP-UHFFFAOYSA-N
MW350.39 g/mol
LogP2.57
Rot. Bonds6

About 3-(4-ethoxyphenyl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine

3-(4-ethoxyphenyl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 71668068) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine
PubChem CID71668068
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name3-(4-ethoxyphenyl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILESCCOc1ccc(-n2nnc3cnc(Nc4cnn(CC)c4)nc32)cc1
InChIInChI=1S/C17H18N8O/c1-3-24-11-12(9-19-24)20-17-18-10-15-16(21-17)25(23-22-15)13-5-7-14(8-6-13)26-4-2/h5-11H,3-4H2,1-2H3,(H,18,20,21)
InChIKeyGHSDAEZBBADQNP-UHFFFAOYSA-N
XLogP2.57
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 3-(4-ethoxyphenyl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine (CID 71668068) is 3-(4-ethoxyphenyl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 3-(4-ethoxyphenyl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine is CCOc1ccc(-n2nnc3cnc(Nc4cnn(CC)c4)nc32)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is GHSDAEZBBADQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c1-3-24-11-12(9-19-24)20-17-18-10-15-16(21-17)25(23-22-15)13-5-7-14(8-6-13)26-4-2/h5-11H,3-4H2,1-2H3,(H,18,20,21).
What are the key properties of 3-(4-ethoxyphenyl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine?
3-(4-ethoxyphenyl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 350.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 71668068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).