3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine

C13H14N6O — CID 7584473

IUPAC3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(Nc3cccc(OC)c3)ncnc21
InChIInChI=1S/C13H14N6O/c1-3-19-13-11(17-18-19)12(14-8-15-13)16-9-5-4-6-10(7-9)20-2/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyFPLLKVACNZNUDU-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.99
Rot. Bonds4

About 3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine

3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7584473) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID7584473
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(Nc3cccc(OC)c3)ncnc21
InChIInChI=1S/C13H14N6O/c1-3-19-13-11(17-18-19)12(14-8-15-13)16-9-5-4-6-10(7-9)20-2/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyFPLLKVACNZNUDU-UHFFFAOYSA-N
XLogP1.99
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine (CID 7584473) is 3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine is CCn1nnc2c(Nc3cccc(OC)c3)ncnc21.
What is the InChIKey of 3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is FPLLKVACNZNUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-3-19-13-11(17-18-19)12(14-8-15-13)16-9-5-4-6-10(7-9)20-2/h4-8H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine?
3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 270.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7584473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).