N-(2-ethoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H19N5O — CID 1430122

IUPACN-(2-ethoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(Nc2ccccc2OCC)n2ncnc2n1
InChIInChI=1S/C16H19N5O/c1-3-7-12-10-15(21-16(19-12)17-11-18-21)20-13-8-5-6-9-14(13)22-4-2/h5-6,8-11,20H,3-4,7H2,1-2H3
InChIKeyJJRYEUJGDZWPJZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.22
Rot. Bonds6

About N-(2-ethoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2-ethoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1430122) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID1430122
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-(2-ethoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(Nc2ccccc2OCC)n2ncnc2n1
InChIInChI=1S/C16H19N5O/c1-3-7-12-10-15(21-16(19-12)17-11-18-21)20-13-8-5-6-9-14(13)22-4-2/h5-6,8-11,20H,3-4,7H2,1-2H3
InChIKeyJJRYEUJGDZWPJZ-UHFFFAOYSA-N
XLogP3.22
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-ethoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 1430122) is N-(2-ethoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-ethoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(Nc2ccccc2OCC)n2ncnc2n1.
What is the InChIKey of N-(2-ethoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JJRYEUJGDZWPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-3-7-12-10-15(21-16(19-12)17-11-18-21)20-13-8-5-6-9-14(13)22-4-2/h5-6,8-11,20H,3-4,7H2,1-2H3.
What are the key properties of N-(2-ethoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2-ethoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 297.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1430122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).