5-ethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H15N5 — CID 24882196

IUPAC5-ethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1
InChIInChI=1S/C17H15N5/c1-2-14-10-16(22-17(21-14)18-11-19-22)20-15-8-7-12-5-3-4-6-13(12)9-15/h3-11,20H,2H2,1H3
InChIKeyNLLKFJJPILZNOG-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.58
Rot. Bonds3

About 5-ethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 24882196) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-ethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID24882196
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name5-ethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1
InChIInChI=1S/C17H15N5/c1-2-14-10-16(22-17(21-14)18-11-19-22)20-15-8-7-12-5-3-4-6-13(12)9-15/h3-11,20H,2H2,1H3
InChIKeyNLLKFJJPILZNOG-UHFFFAOYSA-N
XLogP3.58
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 24882196) is 5-ethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1.
What is the InChIKey of 5-ethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NLLKFJJPILZNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-2-14-10-16(22-17(21-14)18-11-19-22)20-15-8-7-12-5-3-4-6-13(12)9-15/h3-11,20H,2H2,1H3.
What are the key properties of 5-ethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 289.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 24882196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).